humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
type: datablock
alternative label: 5P94
link to mmcif: 5P94.cif.gz
link to pdbml: 5P94.xml.gz
link to pdbml noatom: 5P94-noatom.xml.gz
link to pdbml extatom: 5P94-extatom.xml.gz
link to doi: doi:10.2210/pdb5P94/pdb
datablock name: 5P94-noatom
has atom sites category: atom sitesCategory
has atom type category: atom typeCategory
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5P94
type: atom sites
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entry: 5P94
atom sites.entry id: 5P94
atom sites.fract transf matrix11: 0.020013
atom sites.fract transf matrix12: 0
atom sites.fract transf matrix13: 0
atom sites.fract transf matrix21: 0
atom sites.fract transf matrix22: 0.018438
atom sites.fract transf matrix23: 0
atom sites.fract transf matrix31: 0
atom sites.fract transf matrix32: 0
atom sites.fract transf matrix33: 0.0124
atom sites.fract transf vector1: 0
atom sites.fract transf vector2: 0
atom sites.fract transf vector3: 0

5P94
referenced by atom sites: 5P94
referenced by cell: 5P94
type: entry
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
entry.id: 5P94
referenced by exptl: 5P94,X-RAY DIFFRACTION
referenced by refine: 5P94,X-RAY DIFFRACTION
referenced by reflns: http://rdf.wwpdb.org/pdb/5P94/reflns/1
referenced by struct: 5P94
referenced by struct keywords: 5P94
referenced by symmetry: 5P94
referenced by pdbx database status: 5P94

http://rdf.wwpdb.org/pdb/5P94/atom_type/C
type: atom type
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
atom type.symbol: C

CL
type: atom type
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
atom type.symbol: CL

http://rdf.wwpdb.org/pdb/5P94/atom_type/F
type: atom type
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
atom type.symbol: F

MG
type: atom type
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
atom type.symbol: MG

http://rdf.wwpdb.org/pdb/5P94/atom_type/N
type: atom type
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
atom type.symbol: N

http://rdf.wwpdb.org/pdb/5P94/atom_type/O
type: atom type
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
atom type.symbol: O

http://rdf.wwpdb.org/pdb/5P94/atom_type/S
type: atom type
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
atom type.symbol: S

http://rdf.wwpdb.org/pdb/5P94/audit_author/1
type: audit author
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
audit author.pdbx ordinal: 1
audit author.name: Ehler, A.

http://rdf.wwpdb.org/pdb/5P94/audit_author/2
type: audit author
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
audit author.pdbx ordinal: 2
audit author.name: Lerner, C.

http://rdf.wwpdb.org/pdb/5P94/audit_author/3
type: audit author
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
audit author.pdbx ordinal: 3
audit author.name: Rudolph, M.G.

mmcif pdbx.dic,5.389
type: audit conform
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
audit conform.dict name: mmcif_pdbx.dic
audit conform.dict version: 5.389
audit conform.dict location: http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic

5P94
type: cell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entry: 5P94
cell.entry id: 5P94
cell.z PDB: 4
cell.angle alpha: 90
cell.angle beta: 90
cell.angle gamma: 90
cell.length a: 49.967
cell.length b: 54.237
cell.length c: 80.648

76T
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: 76T
chem comp.formula: C28 H23 F N4 O3
chem comp.formula weight: 482.506
chem comp.name: 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide
chem comp.pdbx synonyms: 4'-fluoro-4,5-dihydroxy-N-[(3-{[(1H-indazol-5-yl)amino]methyl}phenyl)methyl][1,1'-biphenyl]-3-carboxamide
chem comp.type: non-polymer
link to chem comp: 76T
referenced by chem comp atom: H7,76T
referenced by chem comp bond: N9,H7,76T
referenced by chem comp atom: C4,76T
referenced by chem comp atom: C6,76T
referenced by chem comp atom: C7,76T
referenced by chem comp atom: C8,76T
referenced by chem comp atom: C10,76T
referenced by chem comp atom: C13,76T
referenced by chem comp atom: C15,76T
referenced by chem comp atom: C20,76T
referenced by chem comp atom: C21,76T
referenced by chem comp atom: C26,76T
referenced by chem comp atom: C28,76T
referenced by chem comp atom: C1,76T
referenced by chem comp atom: C2,76T
referenced by chem comp atom: C3,76T
referenced by chem comp atom: N5,76T
referenced by chem comp atom: N9,76T
referenced by chem comp atom: N11,76T
referenced by chem comp atom: C12,76T
referenced by chem comp atom: C14,76T
referenced by chem comp atom: O16,76T
referenced by chem comp atom: N17,76T
referenced by chem comp atom: C18,76T
referenced by chem comp atom: C19,76T
referenced by chem comp atom: O22,76T
referenced by chem comp atom: C23,76T
referenced by chem comp atom: O24,76T
referenced by chem comp atom: C25,76T
referenced by chem comp atom: C27,76T
referenced by chem comp atom: C29,76T
referenced by chem comp atom: C30,76T
referenced by chem comp atom: C31,76T
referenced by chem comp atom: C32,76T
referenced by chem comp atom: F33,76T
referenced by chem comp atom: C34,76T
referenced by chem comp atom: C35,76T
referenced by chem comp atom: C36,76T
referenced by chem comp atom: H1,76T
referenced by chem comp atom: H2,76T
referenced by chem comp atom: H3,76T
referenced by chem comp atom: H4,76T
referenced by chem comp atom: H5,76T
referenced by chem comp atom: H6,76T
referenced by chem comp atom: H8,76T
referenced by chem comp atom: H9,76T
referenced by chem comp atom: H10,76T
referenced by chem comp atom: H11,76T
referenced by chem comp atom: H12,76T
referenced by chem comp atom: H13,76T
referenced by chem comp atom: H14,76T
referenced by chem comp atom: H15,76T
referenced by chem comp atom: H16,76T
referenced by chem comp atom: H17,76T
referenced by chem comp atom: H18,76T
referenced by chem comp atom: H19,76T
referenced by chem comp atom: H20,76T
referenced by chem comp atom: H21,76T
referenced by chem comp atom: H22,76T
referenced by chem comp atom: H23,76T
referenced by chem comp bond: F33,C25,76T
referenced by chem comp bond: C31,C25,76T
referenced by chem comp bond: C31,C20,76T
referenced by chem comp bond: C25,C32,76T
referenced by chem comp bond: C20,C13,76T
referenced by chem comp bond: C34,C35,76T
referenced by chem comp bond: C34,C36,76T
referenced by chem comp bond: C35,C30,76T
referenced by chem comp bond: C32,C19,76T
referenced by chem comp bond: C13,C19,76T
referenced by chem comp bond: C13,C6,76T

ALA
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: ALA
chem comp.formula: C3 H7 N O2
chem comp.formula weight: 89.093
chem comp.mon nstd flag: y
chem comp.name: ALANINE
chem comp.type: L-peptide linking
link to chem comp: ALA
referenced by chem comp atom: HXT,ALA
referenced by chem comp bond: OXT,HXT,ALA
referenced by entity poly seq: 1,ALA,210
referenced by chem comp atom: N,ALA
referenced by chem comp atom: CA,ALA
referenced by chem comp atom: C,ALA
referenced by chem comp atom: O,ALA
referenced by chem comp atom: CB,ALA
referenced by chem comp atom: OXT,ALA
referenced by chem comp atom: H,ALA
referenced by chem comp atom: H2,ALA
referenced by chem comp atom: HA,ALA
referenced by chem comp atom: HB1,ALA
referenced by chem comp atom: HB2,ALA
referenced by chem comp atom: HB3,ALA
referenced by chem comp bond: N,CA,ALA
referenced by chem comp bond: N,H,ALA
referenced by chem comp bond: N,H2,ALA
referenced by chem comp bond: CA,C,ALA
referenced by chem comp bond: CA,CB,ALA
referenced by chem comp bond: CA,HA,ALA
referenced by chem comp bond: C,O,ALA
referenced by chem comp bond: C,OXT,ALA
referenced by chem comp bond: CB,HB1,ALA
referenced by chem comp bond: CB,HB2,ALA
referenced by chem comp bond: CB,HB3,ALA
referenced by entity poly seq: 1,ALA,17
referenced by entity poly seq: 1,ALA,28
referenced by entity poly seq: 1,ALA,39
referenced by entity poly seq: 1,ALA,45
referenced by entity poly seq: 1,ALA,52
referenced by entity poly seq: 1,ALA,67
referenced by entity poly seq: 1,ALA,73
referenced by entity poly seq: 1,ALA,77
referenced by entity poly seq: 1,ALA,84
referenced by entity poly seq: 1,ALA,96
referenced by entity poly seq: 1,ALA,97
referenced by entity poly seq: 1,ALA,106
referenced by entity poly seq: 1,ALA,118
referenced by entity poly seq: 1,ALA,168
referenced by entity poly seq: 1,ALA,181

ARG
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: ARG
chem comp.formula: C6 H15 N4 O2 1
chem comp.formula weight: 175.209
chem comp.mon nstd flag: y
chem comp.name: ARGININE
chem comp.type: L-peptide linking
link to chem comp: ARG
referenced by chem comp atom: HXT,ARG
referenced by chem comp bond: OXT,HXT,ARG
referenced by entity poly seq: 1,ARG,184
referenced by chem comp atom: N,ARG
referenced by chem comp atom: CA,ARG
referenced by chem comp atom: C,ARG
referenced by chem comp atom: O,ARG
referenced by chem comp atom: CB,ARG
referenced by chem comp atom: CG,ARG
referenced by chem comp atom: CD,ARG
referenced by chem comp atom: NE,ARG
referenced by chem comp atom: CZ,ARG
referenced by chem comp atom: NH1,ARG
referenced by chem comp atom: NH2,ARG
referenced by chem comp atom: OXT,ARG
referenced by chem comp atom: H,ARG
referenced by chem comp atom: H2,ARG
referenced by chem comp atom: HA,ARG
referenced by chem comp atom: HB2,ARG
referenced by chem comp atom: HB3,ARG
referenced by chem comp atom: HG2,ARG
referenced by chem comp atom: HG3,ARG
referenced by chem comp atom: HD2,ARG
referenced by chem comp atom: HD3,ARG
referenced by chem comp atom: HE,ARG
referenced by chem comp atom: HH11,ARG
referenced by chem comp atom: HH12,ARG
referenced by chem comp atom: HH21,ARG
referenced by chem comp atom: HH22,ARG
referenced by chem comp bond: N,CA,ARG
referenced by chem comp bond: N,H,ARG
referenced by chem comp bond: N,H2,ARG
referenced by chem comp bond: CA,C,ARG
referenced by chem comp bond: CA,CB,ARG
referenced by chem comp bond: CA,HA,ARG
referenced by chem comp bond: C,O,ARG
referenced by chem comp bond: C,OXT,ARG
referenced by chem comp bond: CB,CG,ARG
referenced by chem comp bond: CB,HB2,ARG
referenced by chem comp bond: CB,HB3,ARG
referenced by chem comp bond: CG,CD,ARG
referenced by chem comp bond: CG,HG2,ARG
referenced by chem comp bond: CG,HG3,ARG
referenced by chem comp bond: CD,NE,ARG
referenced by chem comp bond: CD,HD2,ARG
referenced by chem comp bond: CD,HD3,ARG
referenced by chem comp bond: NE,CZ,ARG
referenced by chem comp bond: NE,HE,ARG
referenced by chem comp bond: CZ,NH1,ARG
referenced by chem comp bond: CZ,NH2,ARG
referenced by chem comp bond: NH1,HH11,ARG
referenced by chem comp bond: NH1,HH12,ARG
referenced by chem comp bond: NH2,HH21,ARG
referenced by chem comp bond: NH2,HH22,ARG
referenced by entity poly seq: 1,ARG,8
referenced by entity poly seq: 1,ARG,11
referenced by entity poly seq: 1,ARG,55
referenced by entity poly seq: 1,ARG,75
referenced by entity poly seq: 1,ARG,78
referenced by entity poly seq: 1,ARG,85
referenced by entity poly seq: 1,ARG,146
referenced by entity poly seq: 1,ARG,161

ASN
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: ASN
chem comp.formula: C4 H8 N2 O3
chem comp.formula weight: 132.118
chem comp.mon nstd flag: y
chem comp.name: ASPARAGINE
chem comp.type: L-peptide linking
link to chem comp: ASN
referenced by chem comp atom: HXT,ASN
referenced by chem comp bond: OXT,HXT,ASN
referenced by entity poly seq: 1,ASN,170
referenced by chem comp atom: N,ASN
referenced by chem comp atom: CA,ASN
referenced by chem comp atom: C,ASN
referenced by chem comp atom: O,ASN
referenced by chem comp atom: CB,ASN
referenced by chem comp atom: CG,ASN
referenced by chem comp atom: OD1,ASN
referenced by chem comp atom: ND2,ASN
referenced by chem comp atom: OXT,ASN
referenced by chem comp atom: H,ASN
referenced by chem comp atom: H2,ASN
referenced by chem comp atom: HA,ASN
referenced by chem comp atom: HB2,ASN
referenced by chem comp atom: HB3,ASN
referenced by chem comp atom: HD21,ASN
referenced by chem comp atom: HD22,ASN
referenced by chem comp bond: N,CA,ASN
referenced by chem comp bond: N,H,ASN
referenced by chem comp bond: N,H2,ASN
referenced by chem comp bond: CA,C,ASN
referenced by chem comp bond: CA,CB,ASN
referenced by chem comp bond: CA,HA,ASN
referenced by chem comp bond: C,O,ASN
referenced by chem comp bond: C,OXT,ASN
referenced by chem comp bond: CB,CG,ASN
referenced by chem comp bond: CB,HB2,ASN
referenced by chem comp bond: CB,HB3,ASN
referenced by chem comp bond: CG,OD1,ASN
referenced by chem comp bond: CG,ND2,ASN
referenced by chem comp bond: ND2,HD21,ASN
referenced by chem comp bond: ND2,HD22,ASN
referenced by entity poly seq: 1,ASN,16
referenced by entity poly seq: 1,ASN,41
referenced by entity poly seq: 1,ASN,92
referenced by entity poly seq: 1,ASN,104
referenced by entity poly seq: 1,ASN,116

ASP
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: ASP
chem comp.formula: C4 H7 N O4
chem comp.formula weight: 133.103
chem comp.mon nstd flag: y
chem comp.name: ASPARTIC ACID
chem comp.type: L-peptide linking
link to chem comp: ASP
referenced by chem comp atom: HXT,ASP
referenced by chem comp bond: OXT,HXT,ASP
referenced by entity poly seq: 1,ASP,219
referenced by pdbx unobs or zero occ residues: http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/6
referenced by chem comp atom: N,ASP
referenced by chem comp atom: CA,ASP
referenced by chem comp atom: C,ASP
referenced by chem comp atom: O,ASP
referenced by chem comp atom: CB,ASP
referenced by chem comp atom: CG,ASP
referenced by chem comp atom: OD1,ASP
referenced by chem comp atom: OD2,ASP
referenced by chem comp atom: OXT,ASP
referenced by chem comp atom: H,ASP
referenced by chem comp atom: H2,ASP
referenced by chem comp atom: HA,ASP
referenced by chem comp atom: HB2,ASP
referenced by chem comp atom: HB3,ASP
referenced by chem comp atom: HD2,ASP
referenced by chem comp bond: N,CA,ASP
referenced by chem comp bond: N,H,ASP
referenced by chem comp bond: N,H2,ASP
referenced by chem comp bond: CA,C,ASP
referenced by chem comp bond: CA,CB,ASP
referenced by chem comp bond: CA,HA,ASP
referenced by chem comp bond: C,O,ASP
referenced by chem comp bond: C,OXT,ASP
referenced by chem comp bond: CB,CG,ASP
referenced by chem comp bond: CB,HB2,ASP
referenced by chem comp bond: CB,HB3,ASP
referenced by chem comp bond: CG,OD1,ASP
referenced by chem comp bond: CG,OD2,ASP
referenced by chem comp bond: OD2,HD2,ASP
referenced by entity poly seq: 1,ASP,3
referenced by entity poly seq: 1,ASP,21
referenced by entity poly seq: 1,ASP,30
referenced by entity poly seq: 1,ASP,44
referenced by entity poly seq: 1,ASP,51
referenced by entity poly seq: 1,ASP,94
referenced by entity poly seq: 1,ASP,110
referenced by entity poly seq: 1,ASP,121
referenced by entity poly seq: 1,ASP,131
referenced by entity poly seq: 1,ASP,133
referenced by entity poly seq: 1,ASP,136
referenced by entity poly seq: 1,ASP,141
referenced by entity poly seq: 1,ASP,145
referenced by entity poly seq: 1,ASP,150
referenced by entity poly seq: 1,ASP,169
referenced by entity poly seq: 1,ASP,178
referenced by entity poly seq: 1,ASP,205

CL
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: CL
chem comp.formula: Cl -1
chem comp.formula weight: 35.453
chem comp.name: CHLORIDE ION
chem comp.type: non-polymer
link to chem comp: CL
referenced by chem comp atom: CL,CL

CYS
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: CYS
chem comp.formula: C3 H7 N O2 S
chem comp.formula weight: 121.158
chem comp.mon nstd flag: y
chem comp.name: CYSTEINE
chem comp.type: L-peptide linking
link to chem comp: CYS
referenced by chem comp atom: HXT,CYS
referenced by chem comp bond: OXT,HXT,CYS
referenced by entity poly seq: 1,CYS,191
referenced by chem comp atom: N,CYS
referenced by chem comp atom: CA,CYS
referenced by chem comp atom: C,CYS
referenced by chem comp atom: O,CYS
referenced by chem comp atom: CB,CYS
referenced by chem comp atom: SG,CYS
referenced by chem comp atom: OXT,CYS
referenced by chem comp atom: H,CYS
referenced by chem comp atom: H2,CYS
referenced by chem comp atom: HA,CYS
referenced by chem comp atom: HB2,CYS
referenced by chem comp atom: HB3,CYS
referenced by chem comp atom: HG,CYS
referenced by chem comp bond: N,CA,CYS
referenced by chem comp bond: N,H,CYS
referenced by chem comp bond: N,H2,CYS
referenced by chem comp bond: CA,C,CYS
referenced by chem comp bond: CA,CB,CYS
referenced by chem comp bond: CA,HA,CYS
referenced by chem comp bond: C,O,CYS
referenced by chem comp bond: C,OXT,CYS
referenced by chem comp bond: CB,SG,CYS
referenced by chem comp bond: CB,HB2,CYS
referenced by chem comp bond: CB,HB3,CYS
referenced by chem comp bond: SG,HG,CYS
referenced by entity poly seq: 1,CYS,33
referenced by entity poly seq: 1,CYS,69
referenced by entity poly seq: 1,CYS,95
referenced by entity poly seq: 1,CYS,157

GLN
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: GLN
chem comp.formula: C5 H10 N2 O3
chem comp.formula weight: 146.144
chem comp.mon nstd flag: y
chem comp.name: GLUTAMINE
chem comp.type: L-peptide linking
link to chem comp: GLN
referenced by chem comp atom: HXT,GLN
referenced by chem comp bond: OXT,HXT,GLN
referenced by entity poly seq: 1,GLN,213
referenced by chem comp atom: N,GLN
referenced by chem comp atom: CA,GLN
referenced by chem comp atom: C,GLN
referenced by chem comp atom: O,GLN
referenced by chem comp atom: CB,GLN
referenced by chem comp atom: CG,GLN
referenced by chem comp atom: CD,GLN
referenced by chem comp atom: OE1,GLN
referenced by chem comp atom: NE2,GLN
referenced by chem comp atom: OXT,GLN
referenced by chem comp atom: H,GLN
referenced by chem comp atom: H2,GLN
referenced by chem comp atom: HA,GLN
referenced by chem comp atom: HB2,GLN
referenced by chem comp atom: HB3,GLN
referenced by chem comp atom: HG2,GLN
referenced by chem comp atom: HG3,GLN
referenced by chem comp atom: HE21,GLN
referenced by chem comp atom: HE22,GLN
referenced by chem comp bond: N,CA,GLN
referenced by chem comp bond: N,H,GLN
referenced by chem comp bond: N,H2,GLN
referenced by chem comp bond: CA,C,GLN
referenced by chem comp bond: CA,CB,GLN
referenced by chem comp bond: CA,HA,GLN
referenced by chem comp bond: C,O,GLN
referenced by chem comp bond: C,OXT,GLN
referenced by chem comp bond: CB,CG,GLN
referenced by chem comp bond: CB,HB2,GLN
referenced by chem comp bond: CB,HB3,GLN
referenced by chem comp bond: CG,CD,GLN
referenced by chem comp bond: CG,HG2,GLN
referenced by chem comp bond: CG,HG3,GLN
referenced by chem comp bond: CD,OE1,GLN
referenced by chem comp bond: CD,NE2,GLN
referenced by chem comp bond: NE2,HE21,GLN
referenced by chem comp bond: NE2,HE22,GLN
referenced by entity poly seq: 1,GLN,7
referenced by entity poly seq: 1,GLN,14
referenced by entity poly seq: 1,GLN,15
referenced by entity poly seq: 1,GLN,23
referenced by entity poly seq: 1,GLN,35
referenced by entity poly seq: 1,GLN,48
referenced by entity poly seq: 1,GLN,81
referenced by entity poly seq: 1,GLN,100
referenced by entity poly seq: 1,GLN,101
referenced by entity poly seq: 1,GLN,109
referenced by entity poly seq: 1,GLN,120
referenced by entity poly seq: 1,GLN,125

GLU
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: GLU
chem comp.formula: C5 H9 N O4
chem comp.formula weight: 147.129
chem comp.mon nstd flag: y
chem comp.name: GLUTAMIC ACID
chem comp.type: L-peptide linking
link to chem comp: GLU
referenced by chem comp atom: HXT,GLU
referenced by chem comp bond: OXT,HXT,GLU
referenced by entity poly seq: 1,GLU,208
referenced by chem comp atom: N,GLU
referenced by chem comp atom: CA,GLU
referenced by chem comp atom: C,GLU
referenced by chem comp atom: O,GLU
referenced by chem comp atom: CB,GLU
referenced by chem comp atom: CG,GLU
referenced by chem comp atom: CD,GLU
referenced by chem comp atom: OE1,GLU
referenced by chem comp atom: OE2,GLU
referenced by chem comp atom: OXT,GLU
referenced by chem comp atom: H,GLU
referenced by chem comp atom: H2,GLU
referenced by chem comp atom: HA,GLU
referenced by chem comp atom: HB2,GLU
referenced by chem comp atom: HB3,GLU
referenced by chem comp atom: HG2,GLU
referenced by chem comp atom: HG3,GLU
referenced by chem comp atom: HE2,GLU
referenced by chem comp bond: N,CA,GLU
referenced by chem comp bond: N,H,GLU
referenced by chem comp bond: N,H2,GLU
referenced by chem comp bond: CA,C,GLU
referenced by chem comp bond: CA,CB,GLU
referenced by chem comp bond: CA,HA,GLU
referenced by chem comp bond: C,O,GLU
referenced by chem comp bond: C,OXT,GLU
referenced by chem comp bond: CB,CG,GLU
referenced by chem comp bond: CB,HB2,GLU
referenced by chem comp bond: CB,HB3,GLU
referenced by chem comp bond: CG,CD,GLU
referenced by chem comp bond: CG,HG2,GLU
referenced by chem comp bond: CG,HG3,GLU
referenced by chem comp bond: CD,OE1,GLU
referenced by chem comp bond: CD,OE2,GLU
referenced by chem comp bond: OE2,HE2,GLU
referenced by entity poly seq: 1,GLU,6
referenced by entity poly seq: 1,GLU,27
referenced by entity poly seq: 1,GLU,37
referenced by entity poly seq: 1,GLU,56
referenced by entity poly seq: 1,GLU,64
referenced by entity poly seq: 1,GLU,90
referenced by entity poly seq: 1,GLU,155
referenced by entity poly seq: 1,GLU,190
referenced by entity poly seq: 1,GLU,199

GLY
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: GLY
chem comp.formula: C2 H5 N O2
chem comp.formula weight: 75.067
chem comp.mon nstd flag: y
chem comp.name: GLYCINE
chem comp.type: peptide linking
link to chem comp: GLY
referenced by chem comp atom: HXT,GLY
referenced by chem comp bond: OXT,HXT,GLY
referenced by entity poly seq: 1,GLY,214
referenced by pdbx unobs or zero occ residues: http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/2
referenced by chem comp atom: N,GLY
referenced by chem comp atom: CA,GLY
referenced by chem comp atom: C,GLY
referenced by chem comp atom: O,GLY
referenced by chem comp atom: OXT,GLY
referenced by chem comp atom: H,GLY
referenced by chem comp atom: H2,GLY
referenced by chem comp atom: HA2,GLY
referenced by chem comp atom: HA3,GLY
referenced by chem comp bond: N,CA,GLY
referenced by chem comp bond: N,H,GLY
referenced by chem comp bond: N,H2,GLY
referenced by chem comp bond: CA,C,GLY
referenced by chem comp bond: CA,HA2,GLY
referenced by chem comp bond: CA,HA3,GLY
referenced by chem comp bond: C,O,GLY
referenced by chem comp bond: C,OXT,GLY
referenced by entity poly seq: 1,GLY,2
referenced by entity poly seq: 1,GLY,20
referenced by entity poly seq: 1,GLY,43
referenced by entity poly seq: 1,GLY,47
referenced by entity poly seq: 1,GLY,66
referenced by entity poly seq: 1,GLY,70
referenced by entity poly seq: 1,GLY,83
referenced by entity poly seq: 1,GLY,107
referenced by entity poly seq: 1,GLY,117
referenced by entity poly seq: 1,GLY,158
referenced by entity poly seq: 1,GLY,163
referenced by entity poly seq: 1,GLY,175
referenced by entity poly seq: 1,GLY,185
referenced by entity poly seq: 1,GLY,206

HIS
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: HIS
chem comp.formula: C6 H10 N3 O2 1
chem comp.formula weight: 156.162
chem comp.mon nstd flag: y
chem comp.name: HISTIDINE
chem comp.type: L-peptide linking
link to chem comp: HIS
referenced by chem comp atom: HXT,HIS
referenced by chem comp bond: OXT,HXT,HIS
referenced by entity poly seq: 1,HIS,193
referenced by chem comp atom: N,HIS
referenced by chem comp atom: CA,HIS
referenced by chem comp atom: C,HIS
referenced by chem comp atom: O,HIS
referenced by chem comp atom: CB,HIS
referenced by chem comp atom: CG,HIS
referenced by chem comp atom: ND1,HIS
referenced by chem comp atom: CD2,HIS
referenced by chem comp atom: CE1,HIS
referenced by chem comp atom: NE2,HIS
referenced by chem comp atom: OXT,HIS
referenced by chem comp atom: H,HIS
referenced by chem comp atom: H2,HIS
referenced by chem comp atom: HA,HIS
referenced by chem comp atom: HB2,HIS
referenced by chem comp atom: HB3,HIS
referenced by chem comp atom: HD1,HIS
referenced by chem comp atom: HD2,HIS
referenced by chem comp atom: HE1,HIS
referenced by chem comp atom: HE2,HIS
referenced by chem comp bond: N,CA,HIS
referenced by chem comp bond: N,H,HIS
referenced by chem comp bond: N,H2,HIS
referenced by chem comp bond: CA,C,HIS
referenced by chem comp bond: CA,CB,HIS
referenced by chem comp bond: CA,HA,HIS
referenced by chem comp bond: C,O,HIS
referenced by chem comp bond: C,OXT,HIS
referenced by chem comp bond: CB,CG,HIS
referenced by chem comp bond: CB,HB2,HIS
referenced by chem comp bond: CB,HB3,HIS
referenced by chem comp bond: CG,ND1,HIS
referenced by chem comp bond: CG,CD2,HIS
referenced by chem comp bond: ND1,CE1,HIS
referenced by chem comp bond: ND1,HD1,HIS
referenced by chem comp bond: CD2,NE2,HIS
referenced by chem comp bond: CD2,HD2,HIS
referenced by chem comp bond: CE1,NE2,HIS
referenced by chem comp bond: CE1,HE1,HIS
referenced by chem comp bond: NE2,HE2,HIS
referenced by entity poly seq: 1,HIS,142

HOH
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: HOH
chem comp.formula: H2 O
chem comp.formula weight: 18.015
chem comp.name: WATER
chem comp.type: non-polymer
link to chem comp: HOH
referenced by chem comp atom: H2,HOH
referenced by chem comp bond: O,H2,HOH
referenced by pdbx distant solvent atoms: http://rdf.wwpdb.org/pdb/5P94/pdbx_distant_solvent_atoms/2
referenced by chem comp atom: O,HOH
referenced by chem comp atom: H1,HOH
referenced by chem comp bond: O,H1,HOH
referenced by pdbx distant solvent atoms: http://rdf.wwpdb.org/pdb/5P94/pdbx_distant_solvent_atoms/1

ILE
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: ILE
chem comp.formula: C6 H13 N O2
chem comp.formula weight: 131.173
chem comp.mon nstd flag: y
chem comp.name: ISOLEUCINE
chem comp.type: L-peptide linking
link to chem comp: ILE
referenced by chem comp atom: HXT,ILE
referenced by chem comp bond: OXT,HXT,ILE
referenced by entity poly seq: 1,ILE,211
referenced by chem comp atom: N,ILE
referenced by chem comp atom: CA,ILE
referenced by chem comp atom: C,ILE
referenced by chem comp atom: O,ILE
referenced by chem comp atom: CB,ILE
referenced by chem comp atom: CG1,ILE
referenced by chem comp atom: CG2,ILE
referenced by chem comp atom: CD1,ILE
referenced by chem comp atom: OXT,ILE
referenced by chem comp atom: H,ILE
referenced by chem comp atom: H2,ILE
referenced by chem comp atom: HA,ILE
referenced by chem comp atom: HB,ILE
referenced by chem comp atom: HG12,ILE
referenced by chem comp atom: HG13,ILE
referenced by chem comp atom: HG21,ILE
referenced by chem comp atom: HG22,ILE
referenced by chem comp atom: HG23,ILE
referenced by chem comp atom: HD11,ILE
referenced by chem comp atom: HD12,ILE
referenced by chem comp atom: HD13,ILE
referenced by chem comp bond: N,CA,ILE
referenced by chem comp bond: N,H,ILE
referenced by chem comp bond: N,H2,ILE
referenced by chem comp bond: CA,C,ILE
referenced by chem comp bond: CA,CB,ILE
referenced by chem comp bond: CA,HA,ILE
referenced by chem comp bond: C,O,ILE
referenced by chem comp bond: C,OXT,ILE
referenced by chem comp bond: CB,CG1,ILE
referenced by chem comp bond: CB,CG2,ILE
referenced by chem comp bond: CB,HB,ILE
referenced by chem comp bond: CG1,CD1,ILE
referenced by chem comp bond: CG1,HG12,ILE
referenced by chem comp bond: CG1,HG13,ILE
referenced by chem comp bond: CG2,HG21,ILE
referenced by chem comp bond: CG2,HG22,ILE
referenced by chem comp bond: CG2,HG23,ILE
referenced by chem comp bond: CD1,HD11,ILE
referenced by chem comp bond: CD1,HD12,ILE
referenced by chem comp bond: CD1,HD13,ILE
referenced by entity poly seq: 1,ILE,9
referenced by entity poly seq: 1,ILE,29
referenced by entity poly seq: 1,ILE,49
referenced by entity poly seq: 1,ILE,54
referenced by entity poly seq: 1,ILE,91
referenced by entity poly seq: 1,ILE,98
referenced by entity poly seq: 1,ILE,114
referenced by entity poly seq: 1,ILE,123
referenced by entity poly seq: 1,ILE,172

LEU
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: LEU
chem comp.formula: C6 H13 N O2
chem comp.formula weight: 131.173
chem comp.mon nstd flag: y
chem comp.name: LEUCINE
chem comp.type: L-peptide linking
link to chem comp: LEU
referenced by chem comp atom: HXT,LEU
referenced by chem comp bond: OXT,HXT,LEU
referenced by entity poly seq: 1,LEU,207
referenced by chem comp atom: N,LEU
referenced by chem comp atom: CA,LEU
referenced by chem comp atom: C,LEU
referenced by chem comp atom: O,LEU
referenced by chem comp atom: CB,LEU
referenced by chem comp atom: CG,LEU
referenced by chem comp atom: CD1,LEU
referenced by chem comp atom: CD2,LEU
referenced by chem comp atom: OXT,LEU
referenced by chem comp atom: H,LEU
referenced by chem comp atom: H2,LEU
referenced by chem comp atom: HA,LEU
referenced by chem comp atom: HB2,LEU
referenced by chem comp atom: HB3,LEU
referenced by chem comp atom: HG,LEU
referenced by chem comp atom: HD11,LEU
referenced by chem comp atom: HD12,LEU
referenced by chem comp atom: HD13,LEU
referenced by chem comp atom: HD21,LEU
referenced by chem comp atom: HD22,LEU
referenced by chem comp atom: HD23,LEU
referenced by chem comp bond: N,CA,LEU
referenced by chem comp bond: N,H,LEU
referenced by chem comp bond: N,H2,LEU
referenced by chem comp bond: CA,C,LEU
referenced by chem comp bond: CA,CB,LEU
referenced by chem comp bond: CA,HA,LEU
referenced by chem comp bond: C,O,LEU
referenced by chem comp bond: C,OXT,LEU
referenced by chem comp bond: CB,CG,LEU
referenced by chem comp bond: CB,HB2,LEU
referenced by chem comp bond: CB,HB3,LEU
referenced by chem comp bond: CG,CD1,LEU
referenced by chem comp bond: CG,CD2,LEU
referenced by chem comp bond: CG,HG,LEU
referenced by chem comp bond: CD1,HD11,LEU
referenced by chem comp bond: CD1,HD12,LEU
referenced by chem comp bond: CD1,HD13,LEU
referenced by chem comp bond: CD2,HD21,LEU
referenced by chem comp bond: CD2,HD22,LEU
referenced by chem comp bond: CD2,HD23,LEU
referenced by entity poly seq: 1,LEU,10
referenced by entity poly seq: 1,LEU,26
referenced by entity poly seq: 1,LEU,61
referenced by entity poly seq: 1,LEU,63
referenced by entity poly seq: 1,LEU,65
referenced by entity poly seq: 1,LEU,79
referenced by entity poly seq: 1,LEU,80
referenced by entity poly seq: 1,LEU,86
referenced by entity poly seq: 1,LEU,87
referenced by entity poly seq: 1,LEU,103
referenced by entity poly seq: 1,LEU,108
referenced by entity poly seq: 1,LEU,115
referenced by entity poly seq: 1,LEU,122
referenced by entity poly seq: 1,LEU,126
referenced by entity poly seq: 1,LEU,135
referenced by entity poly seq: 1,LEU,140
referenced by entity poly seq: 1,LEU,148
referenced by entity poly seq: 1,LEU,152
referenced by entity poly seq: 1,LEU,153
referenced by entity poly seq: 1,LEU,154
referenced by entity poly seq: 1,LEU,159
referenced by entity poly seq: 1,LEU,160
referenced by entity poly seq: 1,LEU,166
referenced by entity poly seq: 1,LEU,167
referenced by entity poly seq: 1,LEU,180
referenced by entity poly seq: 1,LEU,198

LYS
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: LYS
chem comp.formula: C6 H15 N2 O2 1
chem comp.formula weight: 147.195
chem comp.mon nstd flag: y
chem comp.name: LYSINE
chem comp.type: L-peptide linking
link to chem comp: LYS
referenced by chem comp atom: HXT,LYS
referenced by chem comp bond: OXT,HXT,LYS
referenced by entity poly seq: 1,LYS,220
referenced by pdbx unobs or zero occ residues: http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/7
referenced by chem comp atom: N,LYS
referenced by chem comp atom: CA,LYS
referenced by chem comp atom: C,LYS
referenced by chem comp atom: O,LYS
referenced by chem comp atom: CB,LYS
referenced by chem comp atom: CG,LYS
referenced by chem comp atom: CD,LYS
referenced by chem comp atom: CE,LYS
referenced by chem comp atom: NZ,LYS
referenced by chem comp atom: OXT,LYS
referenced by chem comp atom: H,LYS
referenced by chem comp atom: H2,LYS
referenced by chem comp atom: HA,LYS
referenced by chem comp atom: HB2,LYS
referenced by chem comp atom: HB3,LYS
referenced by chem comp atom: HG2,LYS
referenced by chem comp atom: HG3,LYS
referenced by chem comp atom: HD2,LYS
referenced by chem comp atom: HD3,LYS
referenced by chem comp atom: HE2,LYS
referenced by chem comp atom: HE3,LYS
referenced by chem comp atom: HZ1,LYS
referenced by chem comp atom: HZ2,LYS
referenced by chem comp atom: HZ3,LYS
referenced by chem comp bond: N,CA,LYS
referenced by chem comp bond: N,H,LYS
referenced by chem comp bond: N,H2,LYS
referenced by chem comp bond: CA,C,LYS
referenced by chem comp bond: CA,CB,LYS
referenced by chem comp bond: CA,HA,LYS
referenced by chem comp bond: C,O,LYS
referenced by chem comp bond: C,OXT,LYS
referenced by chem comp bond: CB,CG,LYS
referenced by chem comp bond: CB,HB2,LYS
referenced by chem comp bond: CB,HB3,LYS
referenced by chem comp bond: CG,CD,LYS
referenced by chem comp bond: CG,HG2,LYS
referenced by chem comp bond: CG,HG3,LYS
referenced by chem comp bond: CD,CE,LYS
referenced by chem comp bond: CD,HD2,LYS
referenced by chem comp bond: CD,HD3,LYS
referenced by chem comp bond: CE,NZ,LYS
referenced by chem comp bond: CE,HE2,LYS
referenced by chem comp bond: CE,HE3,LYS
referenced by chem comp bond: NZ,HZ1,LYS
referenced by chem comp bond: NZ,HZ2,LYS
referenced by chem comp bond: NZ,HZ3,LYS
referenced by entity poly seq: 1,LYS,5
referenced by entity poly seq: 1,LYS,18
referenced by entity poly seq: 1,LYS,36
referenced by entity poly seq: 1,LYS,46
referenced by entity poly seq: 1,LYS,111
referenced by entity poly seq: 1,LYS,127
referenced by entity poly seq: 1,LYS,128
referenced by entity poly seq: 1,LYS,129
referenced by entity poly seq: 1,LYS,144
referenced by entity poly seq: 1,LYS,156
referenced by entity poly seq: 1,LYS,162
referenced by entity poly seq: 1,LYS,202
referenced by entity poly seq: 1,LYS,209

MET
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: MET
chem comp.formula: C5 H11 N O2 S
chem comp.formula weight: 149.211
chem comp.mon nstd flag: y
chem comp.name: METHIONINE
chem comp.type: L-peptide linking
link to chem comp: MET
referenced by chem comp atom: HXT,MET
referenced by chem comp bond: OXT,HXT,MET
referenced by entity poly seq: 1,MET,201
referenced by pdbx unobs or zero occ residues: http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/1
referenced by chem comp atom: N,MET
referenced by chem comp atom: CA,MET
referenced by chem comp atom: C,MET
referenced by chem comp atom: O,MET
referenced by chem comp atom: CB,MET
referenced by chem comp atom: CG,MET
referenced by chem comp atom: SD,MET
referenced by chem comp atom: CE,MET
referenced by chem comp atom: OXT,MET
referenced by chem comp atom: H,MET
referenced by chem comp atom: H2,MET
referenced by chem comp atom: HA,MET
referenced by chem comp atom: HB2,MET
referenced by chem comp atom: HB3,MET
referenced by chem comp atom: HG2,MET
referenced by chem comp atom: HG3,MET
referenced by chem comp atom: HE1,MET
referenced by chem comp atom: HE2,MET
referenced by chem comp atom: HE3,MET
referenced by chem comp bond: N,CA,MET
referenced by chem comp bond: N,H,MET
referenced by chem comp bond: N,H2,MET
referenced by chem comp bond: CA,C,MET
referenced by chem comp bond: CA,CB,MET
referenced by chem comp bond: CA,HA,MET
referenced by chem comp bond: C,O,MET
referenced by chem comp bond: C,OXT,MET
referenced by chem comp bond: CB,CG,MET
referenced by chem comp bond: CB,HB2,MET
referenced by chem comp bond: CB,HB3,MET
referenced by chem comp bond: CG,SD,MET
referenced by chem comp bond: CG,HG2,MET
referenced by chem comp bond: CG,HG3,MET
referenced by chem comp bond: SD,CE,MET
referenced by chem comp bond: CE,HE1,MET
referenced by chem comp bond: CE,HE2,MET
referenced by chem comp bond: CE,HE3,MET
referenced by entity poly seq: 1,MET,1
referenced by entity poly seq: 1,MET,40
referenced by entity poly seq: 1,MET,50
referenced by entity poly seq: 1,MET,76
referenced by entity poly seq: 1,MET,89
referenced by entity poly seq: 1,MET,102
referenced by entity poly seq: 1,MET,137

MG
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: MG
chem comp.formula: Mg 2
chem comp.formula weight: 24.305
chem comp.name: MAGNESIUM ION
chem comp.type: non-polymer
link to chem comp: MG
referenced by chem comp atom: MG,MG

NHE
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: NHE
chem comp.formula: C8 H17 N O3 S
chem comp.formula weight: 207.29
chem comp.name: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
chem comp.pdbx synonyms: N-CYCLOHEXYLTAURINE; CHES
chem comp.type: non-polymer
link to chem comp: NHE
referenced by chem comp atom: H4&#39;2,NHE
referenced by chem comp bond: C4&#39;,H4&#39;2,NHE
referenced by chem comp atom: C3&#39;,NHE
referenced by chem comp atom: C2&#39;,NHE
referenced by chem comp atom: C1&#39;,NHE
referenced by chem comp atom: C6&#39;,NHE
referenced by chem comp atom: N,NHE
referenced by chem comp atom: C1,NHE
referenced by chem comp atom: C2,NHE
referenced by chem comp atom: S,NHE
referenced by chem comp atom: O1,NHE
referenced by chem comp atom: O2,NHE
referenced by chem comp atom: O3,NHE
referenced by chem comp atom: C5&#39;,NHE
referenced by chem comp atom: C4&#39;,NHE
referenced by chem comp atom: H3&#39;1,NHE
referenced by chem comp atom: H3&#39;2,NHE
referenced by chem comp atom: H2&#39;1,NHE
referenced by chem comp atom: H2&#39;2,NHE
referenced by chem comp atom: HC&#39;1,NHE
referenced by chem comp atom: H6&#39;1,NHE
referenced by chem comp atom: H6&#39;2,NHE
referenced by chem comp atom: HN,NHE
referenced by chem comp atom: HC11,NHE
referenced by chem comp atom: HC12,NHE
referenced by chem comp atom: HC21,NHE
referenced by chem comp atom: HC22,NHE
referenced by chem comp atom: HO3,NHE
referenced by chem comp atom: H5&#39;1,NHE
referenced by chem comp atom: H5&#39;2,NHE
referenced by chem comp atom: H4&#39;1,NHE
referenced by chem comp bond: C3&#39;,C2&#39;,NHE
referenced by chem comp bond: C3&#39;,C4&#39;,NHE
referenced by chem comp bond: C3&#39;,H3&#39;1,NHE
referenced by chem comp bond: C3&#39;,H3&#39;2,NHE
referenced by chem comp bond: C2&#39;,C1&#39;,NHE
referenced by chem comp bond: C2&#39;,H2&#39;1,NHE
referenced by chem comp bond: C2&#39;,H2&#39;2,NHE
referenced by chem comp bond: C1&#39;,C6&#39;,NHE
referenced by chem comp bond: C1&#39;,N,NHE
referenced by chem comp bond: C1&#39;,HC&#39;1,NHE
referenced by chem comp bond: C6&#39;,C5&#39;,NHE
referenced by chem comp bond: C6&#39;,H6&#39;1,NHE
referenced by chem comp bond: C6&#39;,H6&#39;2,NHE
referenced by chem comp bond: N,C1,NHE
referenced by chem comp bond: N,HN,NHE
referenced by chem comp bond: C1,C2,NHE
referenced by chem comp bond: C1,HC11,NHE
referenced by chem comp bond: C1,HC12,NHE
referenced by chem comp bond: C2,S,NHE
referenced by chem comp bond: C2,HC21,NHE
referenced by chem comp bond: C2,HC22,NHE
referenced by chem comp bond: S,O1,NHE
referenced by chem comp bond: S,O2,NHE
referenced by chem comp bond: S,O3,NHE
referenced by chem comp bond: O3,HO3,NHE
referenced by chem comp bond: C5&#39;,C4&#39;,NHE
referenced by chem comp bond: C5&#39;,H5&#39;1,NHE
referenced by chem comp bond: C5&#39;,H5&#39;2,NHE
referenced by chem comp bond: C4&#39;,H4&#39;1,NHE

PHE
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: PHE
chem comp.formula: C9 H11 N O2
chem comp.formula weight: 165.189
chem comp.mon nstd flag: y
chem comp.name: PHENYLALANINE
chem comp.type: L-peptide linking
link to chem comp: PHE
referenced by chem comp atom: HXT,PHE
referenced by chem comp bond: OXT,HXT,PHE
referenced by entity poly seq: 1,PHE,189
referenced by chem comp atom: N,PHE
referenced by chem comp atom: CA,PHE
referenced by chem comp atom: C,PHE
referenced by chem comp atom: O,PHE
referenced by chem comp atom: CB,PHE
referenced by chem comp atom: CG,PHE
referenced by chem comp atom: CD1,PHE
referenced by chem comp atom: CD2,PHE
referenced by chem comp atom: CE1,PHE
referenced by chem comp atom: CE2,PHE
referenced by chem comp atom: CZ,PHE
referenced by chem comp atom: OXT,PHE
referenced by chem comp atom: H,PHE
referenced by chem comp atom: H2,PHE
referenced by chem comp atom: HA,PHE
referenced by chem comp atom: HB2,PHE
referenced by chem comp atom: HB3,PHE
referenced by chem comp atom: HD1,PHE
referenced by chem comp atom: HD2,PHE
referenced by chem comp atom: HE1,PHE
referenced by chem comp atom: HE2,PHE
referenced by chem comp atom: HZ,PHE
referenced by chem comp bond: N,CA,PHE
referenced by chem comp bond: N,H,PHE
referenced by chem comp bond: N,H2,PHE
referenced by chem comp bond: CA,C,PHE
referenced by chem comp bond: CA,CB,PHE
referenced by chem comp bond: CA,HA,PHE
referenced by chem comp bond: C,O,PHE
referenced by chem comp bond: C,OXT,PHE
referenced by chem comp bond: CB,CG,PHE
referenced by chem comp bond: CB,HB2,PHE
referenced by chem comp bond: CB,HB3,PHE
referenced by chem comp bond: CG,CD1,PHE
referenced by chem comp bond: CG,CD2,PHE
referenced by chem comp bond: CD1,CE1,PHE
referenced by chem comp bond: CD1,HD1,PHE
referenced by chem comp bond: CD2,CE2,PHE
referenced by chem comp bond: CD2,HD2,PHE
referenced by chem comp bond: CE1,CZ,PHE
referenced by chem comp bond: CE1,HE1,PHE
referenced by chem comp bond: CE2,CZ,PHE
referenced by chem comp bond: CE2,HE2,PHE
referenced by chem comp bond: CZ,HZ,PHE
referenced by entity poly seq: 1,PHE,105
referenced by entity poly seq: 1,PHE,139
referenced by entity poly seq: 1,PHE,179

PRO
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: PRO
chem comp.formula: C5 H9 N O2
chem comp.formula weight: 115.13
chem comp.mon nstd flag: y
chem comp.name: PROLINE
chem comp.type: L-peptide linking
link to chem comp: PRO
referenced by chem comp atom: HXT,PRO
referenced by chem comp bond: OXT,HXT,PRO
referenced by entity poly seq: 1,PRO,218
referenced by pdbx unobs or zero occ residues: http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/5
referenced by chem comp atom: N,PRO
referenced by chem comp atom: CA,PRO
referenced by chem comp atom: C,PRO
referenced by chem comp atom: O,PRO
referenced by chem comp atom: CB,PRO
referenced by chem comp atom: CG,PRO
referenced by chem comp atom: CD,PRO
referenced by chem comp atom: OXT,PRO
referenced by chem comp atom: H,PRO
referenced by chem comp atom: HA,PRO
referenced by chem comp atom: HB2,PRO
referenced by chem comp atom: HB3,PRO
referenced by chem comp atom: HG2,PRO
referenced by chem comp atom: HG3,PRO
referenced by chem comp atom: HD2,PRO
referenced by chem comp atom: HD3,PRO
referenced by chem comp bond: N,CA,PRO
referenced by chem comp bond: N,CD,PRO
referenced by chem comp bond: N,H,PRO
referenced by chem comp bond: CA,C,PRO
referenced by chem comp bond: CA,CB,PRO
referenced by chem comp bond: CA,HA,PRO
referenced by chem comp bond: C,O,PRO
referenced by chem comp bond: C,OXT,PRO
referenced by chem comp bond: CB,CG,PRO
referenced by chem comp bond: CB,HB2,PRO
referenced by chem comp bond: CB,HB3,PRO
referenced by chem comp bond: CG,CD,PRO
referenced by chem comp bond: CG,HG2,PRO
referenced by chem comp bond: CG,HG3,PRO
referenced by chem comp bond: CD,HD2,PRO
referenced by chem comp bond: CD,HD3,PRO
referenced by entity poly seq: 1,PRO,19
referenced by entity poly seq: 1,PRO,22
referenced by entity poly seq: 1,PRO,59
referenced by entity poly seq: 1,PRO,82
referenced by entity poly seq: 1,PRO,93
referenced by entity poly seq: 1,PRO,124
referenced by entity poly seq: 1,PRO,149
referenced by entity poly seq: 1,PRO,174
referenced by entity poly seq: 1,PRO,177
referenced by entity poly seq: 1,PRO,215

SER
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: SER
chem comp.formula: C3 H7 N O3
chem comp.formula weight: 105.093
chem comp.mon nstd flag: y
chem comp.name: SERINE
chem comp.type: L-peptide linking
link to chem comp: SER
referenced by chem comp atom: HXT,SER
referenced by chem comp bond: OXT,HXT,SER
referenced by entity poly seq: 1,SER,221
referenced by pdbx unobs or zero occ residues: http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/8
referenced by chem comp atom: N,SER
referenced by chem comp atom: CA,SER
referenced by chem comp atom: C,SER
referenced by chem comp atom: O,SER
referenced by chem comp atom: CB,SER
referenced by chem comp atom: OG,SER
referenced by chem comp atom: OXT,SER
referenced by chem comp atom: H,SER
referenced by chem comp atom: H2,SER
referenced by chem comp atom: HA,SER
referenced by chem comp atom: HB2,SER
referenced by chem comp atom: HB3,SER
referenced by chem comp atom: HG,SER
referenced by chem comp bond: N,CA,SER
referenced by chem comp bond: N,H,SER
referenced by chem comp bond: N,H2,SER
referenced by chem comp bond: CA,C,SER
referenced by chem comp bond: CA,CB,SER
referenced by chem comp bond: CA,HA,SER
referenced by chem comp bond: C,O,SER
referenced by chem comp bond: C,OXT,SER
referenced by chem comp bond: CB,OG,SER
referenced by chem comp bond: CB,HB2,SER
referenced by chem comp bond: CB,HB3,SER
referenced by chem comp bond: OG,HG,SER
referenced by entity poly seq: 1,SER,24
referenced by entity poly seq: 1,SER,58
referenced by entity poly seq: 1,SER,60
referenced by entity poly seq: 1,SER,72
referenced by entity poly seq: 1,SER,119
referenced by entity poly seq: 1,SER,186
referenced by entity poly seq: 1,SER,187
referenced by entity poly seq: 1,SER,188
referenced by entity poly seq: 1,SER,195
referenced by entity poly seq: 1,SER,196
referenced by entity poly seq: 1,SER,216
referenced by entity poly seq: 1,SER,217
referenced by pdbx unobs or zero occ residues: http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/3
referenced by pdbx unobs or zero occ residues: http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/4

SO4
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: SO4
chem comp.formula: O4 S -2
chem comp.formula weight: 96.063
chem comp.name: SULFATE ION
chem comp.type: non-polymer
link to chem comp: SO4
referenced by chem comp atom: O4,SO4
referenced by chem comp bond: S,O4,SO4
referenced by chem comp atom: S,SO4
referenced by chem comp atom: O1,SO4
referenced by chem comp atom: O2,SO4
referenced by chem comp atom: O3,SO4
referenced by chem comp bond: S,O1,SO4
referenced by chem comp bond: S,O2,SO4
referenced by chem comp bond: S,O3,SO4

THR
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: THR
chem comp.formula: C4 H9 N O3
chem comp.formula weight: 119.119
chem comp.mon nstd flag: y
chem comp.name: THREONINE
chem comp.type: L-peptide linking
link to chem comp: THR
referenced by chem comp atom: HXT,THR
referenced by chem comp bond: OXT,HXT,THR
referenced by entity poly seq: 1,THR,192
referenced by chem comp atom: N,THR
referenced by chem comp atom: CA,THR
referenced by chem comp atom: C,THR
referenced by chem comp atom: O,THR
referenced by chem comp atom: CB,THR
referenced by chem comp atom: OG1,THR
referenced by chem comp atom: CG2,THR
referenced by chem comp atom: OXT,THR
referenced by chem comp atom: H,THR
referenced by chem comp atom: H2,THR
referenced by chem comp atom: HA,THR
referenced by chem comp atom: HB,THR
referenced by chem comp atom: HG1,THR
referenced by chem comp atom: HG21,THR
referenced by chem comp atom: HG22,THR
referenced by chem comp atom: HG23,THR
referenced by chem comp bond: N,CA,THR
referenced by chem comp bond: N,H,THR
referenced by chem comp bond: N,H2,THR
referenced by chem comp bond: CA,C,THR
referenced by chem comp bond: CA,CB,THR
referenced by chem comp bond: CA,HA,THR
referenced by chem comp bond: C,O,THR
referenced by chem comp bond: C,OXT,THR
referenced by chem comp bond: CB,OG1,THR
referenced by chem comp bond: CB,CG2,THR
referenced by chem comp bond: CB,HB,THR
referenced by chem comp bond: OG1,HG1,THR
referenced by chem comp bond: CG2,HG21,THR
referenced by chem comp bond: CG2,HG22,THR
referenced by chem comp bond: CG2,HG23,THR
referenced by entity poly seq: 1,THR,4
referenced by entity poly seq: 1,THR,31
referenced by entity poly seq: 1,THR,34
referenced by entity poly seq: 1,THR,88
referenced by entity poly seq: 1,THR,99
referenced by entity poly seq: 1,THR,113
referenced by entity poly seq: 1,THR,134
referenced by entity poly seq: 1,THR,151
referenced by entity poly seq: 1,THR,164
referenced by entity poly seq: 1,THR,176

TRP
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: TRP
chem comp.formula: C11 H12 N2 O2
chem comp.formula weight: 204.225
chem comp.mon nstd flag: y
chem comp.name: TRYPTOPHAN
chem comp.type: L-peptide linking
link to chem comp: TRP
referenced by chem comp atom: HXT,TRP
referenced by chem comp bond: OXT,HXT,TRP
referenced by entity poly seq: 1,TRP,143
referenced by chem comp atom: N,TRP
referenced by chem comp atom: CA,TRP
referenced by chem comp atom: C,TRP
referenced by chem comp atom: O,TRP
referenced by chem comp atom: CB,TRP
referenced by chem comp atom: CG,TRP
referenced by chem comp atom: CD1,TRP
referenced by chem comp atom: CD2,TRP
referenced by chem comp atom: NE1,TRP
referenced by chem comp atom: CE2,TRP
referenced by chem comp atom: CE3,TRP
referenced by chem comp atom: CZ2,TRP
referenced by chem comp atom: CZ3,TRP
referenced by chem comp atom: CH2,TRP
referenced by chem comp atom: OXT,TRP
referenced by chem comp atom: H,TRP
referenced by chem comp atom: H2,TRP
referenced by chem comp atom: HA,TRP
referenced by chem comp atom: HB2,TRP
referenced by chem comp atom: HB3,TRP
referenced by chem comp atom: HD1,TRP
referenced by chem comp atom: HE1,TRP
referenced by chem comp atom: HE3,TRP
referenced by chem comp atom: HZ2,TRP
referenced by chem comp atom: HZ3,TRP
referenced by chem comp atom: HH2,TRP
referenced by chem comp bond: N,CA,TRP
referenced by chem comp bond: N,H,TRP
referenced by chem comp bond: N,H2,TRP
referenced by chem comp bond: CA,C,TRP
referenced by chem comp bond: CA,CB,TRP
referenced by chem comp bond: CA,HA,TRP
referenced by chem comp bond: C,O,TRP
referenced by chem comp bond: C,OXT,TRP
referenced by chem comp bond: CB,CG,TRP
referenced by chem comp bond: CB,HB2,TRP
referenced by chem comp bond: CB,HB3,TRP
referenced by chem comp bond: CG,CD1,TRP
referenced by chem comp bond: CG,CD2,TRP
referenced by chem comp bond: CD1,NE1,TRP
referenced by chem comp bond: CD1,HD1,TRP
referenced by chem comp bond: CD2,CE2,TRP
referenced by chem comp bond: CD2,CE3,TRP
referenced by chem comp bond: NE1,CE2,TRP
referenced by chem comp bond: NE1,HE1,TRP
referenced by chem comp bond: CE2,CZ2,TRP
referenced by chem comp bond: CE3,CZ3,TRP
referenced by chem comp bond: CE3,HE3,TRP
referenced by chem comp bond: CZ2,CH2,TRP
referenced by chem comp bond: CZ2,HZ2,TRP
referenced by chem comp bond: CZ3,CH2,TRP
referenced by chem comp bond: CZ3,HZ3,TRP
referenced by chem comp bond: CH2,HH2,TRP
referenced by entity poly seq: 1,TRP,38

TYR
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: TYR
chem comp.formula: C9 H11 N O3
chem comp.formula weight: 181.189
chem comp.mon nstd flag: y
chem comp.name: TYROSINE
chem comp.type: L-peptide linking
link to chem comp: TYR
referenced by chem comp atom: HXT,TYR
referenced by chem comp bond: OXT,HXT,TYR
referenced by entity poly seq: 1,TYR,212
referenced by chem comp atom: N,TYR
referenced by chem comp atom: CA,TYR
referenced by chem comp atom: C,TYR
referenced by chem comp atom: O,TYR
referenced by chem comp atom: CB,TYR
referenced by chem comp atom: CG,TYR
referenced by chem comp atom: CD1,TYR
referenced by chem comp atom: CD2,TYR
referenced by chem comp atom: CE1,TYR
referenced by chem comp atom: CE2,TYR
referenced by chem comp atom: CZ,TYR
referenced by chem comp atom: OH,TYR
referenced by chem comp atom: OXT,TYR
referenced by chem comp atom: H,TYR
referenced by chem comp atom: H2,TYR
referenced by chem comp atom: HA,TYR
referenced by chem comp atom: HB2,TYR
referenced by chem comp atom: HB3,TYR
referenced by chem comp atom: HD1,TYR
referenced by chem comp atom: HD2,TYR
referenced by chem comp atom: HE1,TYR
referenced by chem comp atom: HE2,TYR
referenced by chem comp atom: HH,TYR
referenced by chem comp bond: N,CA,TYR
referenced by chem comp bond: N,H,TYR
referenced by chem comp bond: N,H2,TYR
referenced by chem comp bond: CA,C,TYR
referenced by chem comp bond: CA,CB,TYR
referenced by chem comp bond: CA,HA,TYR
referenced by chem comp bond: C,O,TYR
referenced by chem comp bond: C,OXT,TYR
referenced by chem comp bond: CB,CG,TYR
referenced by chem comp bond: CB,HB2,TYR
referenced by chem comp bond: CB,HB3,TYR
referenced by chem comp bond: CG,CD1,TYR
referenced by chem comp bond: CG,CD2,TYR
referenced by chem comp bond: CD1,CE1,TYR
referenced by chem comp bond: CD1,HD1,TYR
referenced by chem comp bond: CD2,CE2,TYR
referenced by chem comp bond: CD2,HD2,TYR
referenced by chem comp bond: CE1,CZ,TYR
referenced by chem comp bond: CE1,HE1,TYR
referenced by chem comp bond: CE2,CZ,TYR
referenced by chem comp bond: CE2,HE2,TYR
referenced by chem comp bond: CZ,OH,TYR
referenced by chem comp bond: OH,HH,TYR
referenced by entity poly seq: 1,TYR,12
referenced by entity poly seq: 1,TYR,32
referenced by entity poly seq: 1,TYR,57
referenced by entity poly seq: 1,TYR,68
referenced by entity poly seq: 1,TYR,71
referenced by entity poly seq: 1,TYR,130
referenced by entity poly seq: 1,TYR,147
referenced by entity poly seq: 1,TYR,182
referenced by entity poly seq: 1,TYR,194
referenced by entity poly seq: 1,TYR,197
referenced by entity poly seq: 1,TYR,200

VAL
type: chem comp
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
chem comp.id: VAL
chem comp.formula: C5 H11 N O2
chem comp.formula weight: 117.146
chem comp.mon nstd flag: y
chem comp.name: VALINE
chem comp.type: L-peptide linking
link to chem comp: VAL
referenced by chem comp atom: HXT,VAL
referenced by chem comp bond: OXT,HXT,VAL
referenced by entity poly seq: 1,VAL,204
referenced by chem comp atom: N,VAL
referenced by chem comp atom: CA,VAL
referenced by chem comp atom: C,VAL
referenced by chem comp atom: O,VAL
referenced by chem comp atom: CB,VAL
referenced by chem comp atom: CG1,VAL
referenced by chem comp atom: CG2,VAL
referenced by chem comp atom: OXT,VAL
referenced by chem comp atom: H,VAL
referenced by chem comp atom: H2,VAL
referenced by chem comp atom: HA,VAL
referenced by chem comp atom: HB,VAL
referenced by chem comp atom: HG11,VAL
referenced by chem comp atom: HG12,VAL
referenced by chem comp atom: HG13,VAL
referenced by chem comp atom: HG21,VAL
referenced by chem comp atom: HG22,VAL
referenced by chem comp atom: HG23,VAL
referenced by chem comp bond: N,CA,VAL
referenced by chem comp bond: N,H,VAL
referenced by chem comp bond: N,H2,VAL
referenced by chem comp bond: CA,C,VAL
referenced by chem comp bond: CA,CB,VAL
referenced by chem comp bond: CA,HA,VAL
referenced by chem comp bond: C,O,VAL
referenced by chem comp bond: C,OXT,VAL
referenced by chem comp bond: CB,CG1,VAL
referenced by chem comp bond: CB,CG2,VAL
referenced by chem comp bond: CB,HB,VAL
referenced by chem comp bond: CG1,HG11,VAL
referenced by chem comp bond: CG1,HG12,VAL
referenced by chem comp bond: CG1,HG13,VAL
referenced by chem comp bond: CG2,HG21,VAL
referenced by chem comp bond: CG2,HG22,VAL
referenced by chem comp bond: CG2,HG23,VAL
referenced by entity poly seq: 1,VAL,13
referenced by entity poly seq: 1,VAL,25
referenced by entity poly seq: 1,VAL,42
referenced by entity poly seq: 1,VAL,53
referenced by entity poly seq: 1,VAL,62
referenced by entity poly seq: 1,VAL,74
referenced by entity poly seq: 1,VAL,112
referenced by entity poly seq: 1,VAL,132
referenced by entity poly seq: 1,VAL,138
referenced by entity poly seq: 1,VAL,165
referenced by entity poly seq: 1,VAL,171
referenced by entity poly seq: 1,VAL,173
referenced by entity poly seq: 1,VAL,183
referenced by entity poly seq: 1,VAL,203

C4,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C4
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C4,N11,76T
referenced by chem comp bond: O16,C4,76T
referenced by chem comp bond: C1,C4,76T

C6,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C6
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C6,C10,76T
referenced by chem comp bond: C13,C6,76T
referenced by chem comp bond: C6,C3,76T

C7,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C7
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C7,O24,76T
referenced by chem comp bond: C10,C7,76T
referenced by chem comp bond: C7,C2,76T

C8,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C8
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C8,C14,76T
referenced by chem comp bond: C15,C8,76T
referenced by chem comp bond: C8,C12,76T

C10,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C10
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C10,H1,76T
referenced by chem comp bond: C6,C10,76T
referenced by chem comp bond: C10,C7,76T

C13,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C13
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C13,C6,76T
referenced by chem comp bond: C20,C13,76T
referenced by chem comp bond: C13,C19,76T

C15,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C15
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C15,H2,76T
referenced by chem comp bond: C21,C15,76T
referenced by chem comp bond: C15,C8,76T

C20,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C20
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C20,H3,76T
referenced by chem comp bond: C31,C20,76T
referenced by chem comp bond: C20,C13,76T

C21,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C21
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C21,C15,76T
referenced by chem comp bond: N17,C21,76T
referenced by chem comp bond: C21,C29,76T

C26,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C26
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C26,H5,76T
referenced by chem comp bond: C26,C30,76T
referenced by chem comp bond: C26,N17,76T
referenced by chem comp bond: C26,H4,76T

C28,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C28
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C28,C23,76T
referenced by chem comp bond: C36,C28,76T
referenced by chem comp bond: C28,C27,76T

C1,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C1
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C1,C2,76T
referenced by chem comp bond: C3,C1,76T
referenced by chem comp bond: C1,C4,76T

C2,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C2
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C2,O22,76T
referenced by chem comp bond: C7,C2,76T
referenced by chem comp bond: C1,C2,76T

C3,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C3
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C3,H6,76T
referenced by chem comp bond: C6,C3,76T
referenced by chem comp bond: C3,C1,76T

N5,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: N5
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N9,N5,76T
referenced by chem comp bond: C14,N5,76T

N9,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: N9
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N9,H7,76T
referenced by chem comp bond: C12,N9,76T
referenced by chem comp bond: N9,N5,76T

N11,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: N11
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N11,H8,76T
referenced by chem comp bond: C4,N11,76T
referenced by chem comp bond: N11,C23,76T

C12,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C12
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C12,N9,76T
referenced by chem comp bond: C8,C12,76T
referenced by chem comp bond: C18,C12,76T

C14,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C14
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C14,H9,76T
referenced by chem comp bond: C8,C14,76T
referenced by chem comp bond: C14,N5,76T

O16,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: O16
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: O16,C4,76T

N17,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: N17
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N17,H10,76T
referenced by chem comp bond: C26,N17,76T
referenced by chem comp bond: N17,C21,76T

C18,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C18
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C18,H11,76T
referenced by chem comp bond: C29,C18,76T
referenced by chem comp bond: C18,C12,76T

C19,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C19
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C19,H12,76T
referenced by chem comp bond: C13,C19,76T
referenced by chem comp bond: C32,C19,76T

O22,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: O22
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: O22,H13,76T
referenced by chem comp bond: C2,O22,76T

C23,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C23
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C23,H15,76T
referenced by chem comp bond: N11,C23,76T
referenced by chem comp bond: C28,C23,76T
referenced by chem comp bond: C23,H14,76T

O24,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: O24
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: O24,H16,76T
referenced by chem comp bond: C7,O24,76T

C25,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C25
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C25,C32,76T
referenced by chem comp bond: C31,C25,76T
referenced by chem comp bond: F33,C25,76T

C27,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C27
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C27,H17,76T
referenced by chem comp bond: C28,C27,76T
referenced by chem comp bond: C30,C27,76T

C29,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C29
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C29,H18,76T
referenced by chem comp bond: C21,C29,76T
referenced by chem comp bond: C29,C18,76T

C30,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C30
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C30,C27,76T
referenced by chem comp bond: C26,C30,76T
referenced by chem comp bond: C35,C30,76T

C31,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C31
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C31,H19,76T
referenced by chem comp bond: C31,C25,76T
referenced by chem comp bond: C31,C20,76T

C32,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C32
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C32,H20,76T
referenced by chem comp bond: C25,C32,76T
referenced by chem comp bond: C32,C19,76T

F33,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: F33
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: F
referenced by chem comp bond: F33,C25,76T

C34,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C34
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C34,H21,76T
referenced by chem comp bond: C34,C35,76T
referenced by chem comp bond: C34,C36,76T

C35,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C35
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C35,H22,76T
referenced by chem comp bond: C34,C35,76T
referenced by chem comp bond: C35,C30,76T

C36,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: C36
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C36,H23,76T
referenced by chem comp bond: C34,C36,76T
referenced by chem comp bond: C36,C28,76T

H1,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H1
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C10,H1,76T

H2,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H2
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C15,H2,76T

H3,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H3
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C20,H3,76T

H4,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H4
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C26,H4,76T

H5,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H5
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C26,H5,76T

H6,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H6
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C3,H6,76T

H8,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H8
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N11,H8,76T

H9,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H9
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C14,H9,76T

H10,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H10
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N17,H10,76T

H11,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H11
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C18,H11,76T

H12,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H12
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C19,H12,76T

H13,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H13
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: O22,H13,76T

H14,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H14
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 49
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C23,H14,76T

H15,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H15
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 50
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C23,H15,76T

H16,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H16
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 51
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: O24,H16,76T

H17,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H17
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 52
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C27,H17,76T

H18,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H18
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 53
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C29,H18,76T

H19,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H19
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 54
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C31,H19,76T

H20,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H20
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 55
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C32,H20,76T

H21,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H21
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 56
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C34,H21,76T

H22,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H22
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 57
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C35,H22,76T

H23,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H23
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 58
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C36,H23,76T

H7,76T
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: 76T
chem comp atom.atom id: H7
chem comp atom.comp id: 76T
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 59
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N9,H7,76T

N,ALA
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
chem comp atom.atom id: N
chem comp atom.comp id: ALA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 60
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,ALA
referenced by chem comp bond: N,CA,ALA
referenced by chem comp bond: N,H,ALA

CA,ALA
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
chem comp atom.atom id: CA
chem comp atom.comp id: ALA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 61
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,ALA
referenced by chem comp bond: N,CA,ALA
referenced by chem comp bond: CA,C,ALA
referenced by chem comp bond: CA,CB,ALA

C,ALA
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
chem comp atom.atom id: C
chem comp atom.comp id: ALA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 62
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,ALA
referenced by chem comp bond: CA,C,ALA
referenced by chem comp bond: C,O,ALA

O,ALA
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
chem comp atom.atom id: O
chem comp atom.comp id: ALA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 63
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,ALA

CB,ALA
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
chem comp atom.atom id: CB
chem comp atom.comp id: ALA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 64
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,ALA
referenced by chem comp bond: CA,CB,ALA
referenced by chem comp bond: CB,HB1,ALA
referenced by chem comp bond: CB,HB2,ALA

OXT,ALA
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
chem comp atom.atom id: OXT
chem comp atom.comp id: ALA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 65
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,ALA
referenced by chem comp bond: C,OXT,ALA

H,ALA
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
chem comp atom.atom id: H
chem comp atom.comp id: ALA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 66
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,ALA

H2,ALA
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
chem comp atom.atom id: H2
chem comp atom.comp id: ALA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 67
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,ALA

HA,ALA
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
chem comp atom.atom id: HA
chem comp atom.comp id: ALA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 68
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,ALA

HB1,ALA
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
chem comp atom.atom id: HB1
chem comp atom.comp id: ALA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 69
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB1,ALA

HB2,ALA
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
chem comp atom.atom id: HB2
chem comp atom.comp id: ALA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 70
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,ALA

HB3,ALA
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
chem comp atom.atom id: HB3
chem comp atom.comp id: ALA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 71
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,ALA

HXT,ALA
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
chem comp atom.atom id: HXT
chem comp atom.comp id: ALA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 72
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,ALA

N,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: N
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 73
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,ARG
referenced by chem comp bond: N,CA,ARG
referenced by chem comp bond: N,H,ARG

CA,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: CA
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 74
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,ARG
referenced by chem comp bond: N,CA,ARG
referenced by chem comp bond: CA,C,ARG
referenced by chem comp bond: CA,CB,ARG

C,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: C
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 75
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,ARG
referenced by chem comp bond: CA,C,ARG
referenced by chem comp bond: C,O,ARG

O,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: O
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 76
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,ARG

CB,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: CB
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 77
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,ARG
referenced by chem comp bond: CA,CB,ARG
referenced by chem comp bond: CB,CG,ARG
referenced by chem comp bond: CB,HB2,ARG

CG,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: CG
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 78
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,HG3,ARG
referenced by chem comp bond: CB,CG,ARG
referenced by chem comp bond: CG,CD,ARG
referenced by chem comp bond: CG,HG2,ARG

CD,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: CD
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 79
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD,HD3,ARG
referenced by chem comp bond: CG,CD,ARG
referenced by chem comp bond: CD,NE,ARG
referenced by chem comp bond: CD,HD2,ARG

NE,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: NE
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 80
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: NE,HE,ARG
referenced by chem comp bond: CD,NE,ARG
referenced by chem comp bond: NE,CZ,ARG

CZ,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: CZ
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 81
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CZ,NH2,ARG
referenced by chem comp bond: NE,CZ,ARG
referenced by chem comp bond: CZ,NH1,ARG

NH1,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: NH1
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 82
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: NH1,HH12,ARG
referenced by chem comp bond: CZ,NH1,ARG
referenced by chem comp bond: NH1,HH11,ARG

NH2,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: NH2
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 83
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: NH2,HH22,ARG
referenced by chem comp bond: CZ,NH2,ARG
referenced by chem comp bond: NH2,HH21,ARG

OXT,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: OXT
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 84
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,ARG
referenced by chem comp bond: C,OXT,ARG

H,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: H
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 85
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,ARG

H2,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: H2
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 86
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,ARG

HA,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: HA
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 87
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,ARG

HB2,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: HB2
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 88
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,ARG

HB3,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: HB3
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 89
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,ARG

HG2,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: HG2
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 90
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG2,ARG

HG3,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: HG3
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 91
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG3,ARG

HD2,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: HD2
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 92
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD,HD2,ARG

HD3,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: HD3
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 93
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD,HD3,ARG

HE,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: HE
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 94
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NE,HE,ARG

HH11,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: HH11
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 95
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NH1,HH11,ARG

HH12,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: HH12
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 96
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NH1,HH12,ARG

HH21,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: HH21
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 97
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NH2,HH21,ARG

HH22,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: HH22
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 98
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NH2,HH22,ARG

HXT,ARG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
chem comp atom.atom id: HXT
chem comp atom.comp id: ARG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 99
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,ARG

N,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: N
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 100
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,ASN
referenced by chem comp bond: N,CA,ASN
referenced by chem comp bond: N,H,ASN

CA,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: CA
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 101
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,ASN
referenced by chem comp bond: N,CA,ASN
referenced by chem comp bond: CA,C,ASN
referenced by chem comp bond: CA,CB,ASN

C,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: C
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 102
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,ASN
referenced by chem comp bond: CA,C,ASN
referenced by chem comp bond: C,O,ASN

O,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: O
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 103
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,ASN

CB,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: CB
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 104
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,ASN
referenced by chem comp bond: CA,CB,ASN
referenced by chem comp bond: CB,CG,ASN
referenced by chem comp bond: CB,HB2,ASN

CG,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: CG
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 105
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,ND2,ASN
referenced by chem comp bond: CB,CG,ASN
referenced by chem comp bond: CG,OD1,ASN

OD1,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: OD1
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 106
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: CG,OD1,ASN

ND2,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: ND2
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 107
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: ND2,HD22,ASN
referenced by chem comp bond: CG,ND2,ASN
referenced by chem comp bond: ND2,HD21,ASN

OXT,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: OXT
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 108
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,ASN
referenced by chem comp bond: C,OXT,ASN

H,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: H
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 109
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,ASN

H2,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: H2
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 110
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,ASN

HA,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: HA
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 111
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,ASN

HB2,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: HB2
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 112
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,ASN

HB3,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: HB3
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 113
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,ASN

HD21,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: HD21
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 114
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: ND2,HD21,ASN

HD22,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: HD22
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 115
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: ND2,HD22,ASN

HXT,ASN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
chem comp atom.atom id: HXT
chem comp atom.comp id: ASN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 116
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,ASN

N,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: N
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 117
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,ASP
referenced by chem comp bond: N,CA,ASP
referenced by chem comp bond: N,H,ASP

CA,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: CA
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 118
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,ASP
referenced by chem comp bond: N,CA,ASP
referenced by chem comp bond: CA,C,ASP
referenced by chem comp bond: CA,CB,ASP

C,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: C
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 119
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,ASP
referenced by chem comp bond: CA,C,ASP
referenced by chem comp bond: C,O,ASP

O,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: O
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 120
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,ASP

CB,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: CB
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 121
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,ASP
referenced by chem comp bond: CA,CB,ASP
referenced by chem comp bond: CB,CG,ASP
referenced by chem comp bond: CB,HB2,ASP

CG,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: CG
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 122
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,OD2,ASP
referenced by chem comp bond: CB,CG,ASP
referenced by chem comp bond: CG,OD1,ASP

OD1,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: OD1
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 123
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: CG,OD1,ASP

OD2,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: OD2
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 124
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OD2,HD2,ASP
referenced by chem comp bond: CG,OD2,ASP

OXT,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: OXT
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 125
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,ASP
referenced by chem comp bond: C,OXT,ASP

H,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: H
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 126
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,ASP

H2,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: H2
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 127
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,ASP

HA,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: HA
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 128
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,ASP

HB2,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: HB2
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 129
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,ASP

HB3,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: HB3
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 130
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,ASP

HD2,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: HD2
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 131
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OD2,HD2,ASP

HXT,ASP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
chem comp atom.atom id: HXT
chem comp atom.comp id: ASP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 132
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,ASP

CL,CL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CL
chem comp atom.atom id: CL
chem comp atom.comp id: CL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 133
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: CL

N,CYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
chem comp atom.atom id: N
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 134
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,CYS
referenced by chem comp bond: N,CA,CYS
referenced by chem comp bond: N,H,CYS

CA,CYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
chem comp atom.atom id: CA
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 135
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,CYS
referenced by chem comp bond: N,CA,CYS
referenced by chem comp bond: CA,C,CYS
referenced by chem comp bond: CA,CB,CYS

C,CYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
chem comp atom.atom id: C
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 136
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,CYS
referenced by chem comp bond: CA,C,CYS
referenced by chem comp bond: C,O,CYS

O,CYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
chem comp atom.atom id: O
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 137
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,CYS

CB,CYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
chem comp atom.atom id: CB
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 138
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,CYS
referenced by chem comp bond: CA,CB,CYS
referenced by chem comp bond: CB,SG,CYS
referenced by chem comp bond: CB,HB2,CYS

SG,CYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
chem comp atom.atom id: SG
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 139
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S
referenced by chem comp bond: SG,HG,CYS
referenced by chem comp bond: CB,SG,CYS

OXT,CYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
chem comp atom.atom id: OXT
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 140
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,CYS
referenced by chem comp bond: C,OXT,CYS

H,CYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
chem comp atom.atom id: H
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 141
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,CYS

H2,CYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
chem comp atom.atom id: H2
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 142
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,CYS

HA,CYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
chem comp atom.atom id: HA
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 143
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,CYS

HB2,CYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
chem comp atom.atom id: HB2
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 144
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,CYS

HB3,CYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
chem comp atom.atom id: HB3
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 145
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,CYS

HG,CYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
chem comp atom.atom id: HG
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 146
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: SG,HG,CYS

HXT,CYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
chem comp atom.atom id: HXT
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 147
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,CYS

N,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: N
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 148
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,GLN
referenced by chem comp bond: N,CA,GLN
referenced by chem comp bond: N,H,GLN

CA,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: CA
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 149
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,GLN
referenced by chem comp bond: N,CA,GLN
referenced by chem comp bond: CA,C,GLN
referenced by chem comp bond: CA,CB,GLN

C,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: C
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 150
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,GLN
referenced by chem comp bond: CA,C,GLN
referenced by chem comp bond: C,O,GLN

O,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: O
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 151
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,GLN

CB,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: CB
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 152
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,GLN
referenced by chem comp bond: CA,CB,GLN
referenced by chem comp bond: CB,CG,GLN
referenced by chem comp bond: CB,HB2,GLN

CG,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: CG
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 153
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,HG3,GLN
referenced by chem comp bond: CB,CG,GLN
referenced by chem comp bond: CG,CD,GLN
referenced by chem comp bond: CG,HG2,GLN

CD,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: CD
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 154
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD,NE2,GLN
referenced by chem comp bond: CG,CD,GLN
referenced by chem comp bond: CD,OE1,GLN

OE1,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: OE1
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 155
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: CD,OE1,GLN

NE2,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: NE2
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 156
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: NE2,HE22,GLN
referenced by chem comp bond: CD,NE2,GLN
referenced by chem comp bond: NE2,HE21,GLN

OXT,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: OXT
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 157
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,GLN
referenced by chem comp bond: C,OXT,GLN

H,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: H
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 158
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,GLN

H2,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: H2
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 159
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,GLN

HA,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: HA
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 160
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,GLN

HB2,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: HB2
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 161
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,GLN

HB3,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: HB3
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 162
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,GLN

HG2,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: HG2
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 163
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG2,GLN

HG3,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: HG3
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 164
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG3,GLN

HE21,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: HE21
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 165
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NE2,HE21,GLN

HE22,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: HE22
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 166
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NE2,HE22,GLN

HXT,GLN
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
chem comp atom.atom id: HXT
chem comp atom.comp id: GLN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 167
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,GLN

N,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: N
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 168
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,GLU
referenced by chem comp bond: N,CA,GLU
referenced by chem comp bond: N,H,GLU

CA,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: CA
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 169
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,GLU
referenced by chem comp bond: N,CA,GLU
referenced by chem comp bond: CA,C,GLU
referenced by chem comp bond: CA,CB,GLU

C,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: C
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 170
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,GLU
referenced by chem comp bond: CA,C,GLU
referenced by chem comp bond: C,O,GLU

O,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: O
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 171
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,GLU

CB,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: CB
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 172
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,GLU
referenced by chem comp bond: CA,CB,GLU
referenced by chem comp bond: CB,CG,GLU
referenced by chem comp bond: CB,HB2,GLU

CG,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: CG
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 173
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,HG3,GLU
referenced by chem comp bond: CB,CG,GLU
referenced by chem comp bond: CG,CD,GLU
referenced by chem comp bond: CG,HG2,GLU

CD,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: CD
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 174
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD,OE2,GLU
referenced by chem comp bond: CG,CD,GLU
referenced by chem comp bond: CD,OE1,GLU

OE1,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: OE1
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 175
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: CD,OE1,GLU

OE2,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: OE2
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 176
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OE2,HE2,GLU
referenced by chem comp bond: CD,OE2,GLU

OXT,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: OXT
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 177
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,GLU
referenced by chem comp bond: C,OXT,GLU

H,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: H
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 178
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,GLU

H2,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: H2
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 179
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,GLU

HA,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: HA
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 180
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,GLU

HB2,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: HB2
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 181
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,GLU

HB3,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: HB3
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 182
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,GLU

HG2,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: HG2
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 183
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG2,GLU

HG3,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: HG3
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 184
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG3,GLU

HE2,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: HE2
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 185
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OE2,HE2,GLU

HXT,GLU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
chem comp atom.atom id: HXT
chem comp atom.comp id: GLU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 186
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,GLU

N,GLY
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
chem comp atom.atom id: N
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 187
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,GLY
referenced by chem comp bond: N,CA,GLY
referenced by chem comp bond: N,H,GLY

CA,GLY
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
chem comp atom.atom id: CA
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 188
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA3,GLY
referenced by chem comp bond: N,CA,GLY
referenced by chem comp bond: CA,C,GLY
referenced by chem comp bond: CA,HA2,GLY

C,GLY
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
chem comp atom.atom id: C
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 189
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,GLY
referenced by chem comp bond: CA,C,GLY
referenced by chem comp bond: C,O,GLY

O,GLY
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
chem comp atom.atom id: O
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 190
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,GLY

OXT,GLY
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
chem comp atom.atom id: OXT
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 191
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,GLY
referenced by chem comp bond: C,OXT,GLY

H,GLY
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
chem comp atom.atom id: H
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 192
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,GLY

H2,GLY
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
chem comp atom.atom id: H2
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 193
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,GLY

HA2,GLY
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
chem comp atom.atom id: HA2
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 194
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA2,GLY

HA3,GLY
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
chem comp atom.atom id: HA3
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 195
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA3,GLY

HXT,GLY
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
chem comp atom.atom id: HXT
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 196
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,GLY

N,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: N
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 197
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,HIS
referenced by chem comp bond: N,CA,HIS
referenced by chem comp bond: N,H,HIS

CA,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: CA
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 198
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,HIS
referenced by chem comp bond: N,CA,HIS
referenced by chem comp bond: CA,C,HIS
referenced by chem comp bond: CA,CB,HIS

C,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: C
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 199
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,HIS
referenced by chem comp bond: CA,C,HIS
referenced by chem comp bond: C,O,HIS

O,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: O
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 200
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,HIS

CB,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: CB
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 201
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,HIS
referenced by chem comp bond: CA,CB,HIS
referenced by chem comp bond: CB,CG,HIS
referenced by chem comp bond: CB,HB2,HIS

CG,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: CG
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 202
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,CD2,HIS
referenced by chem comp bond: CB,CG,HIS
referenced by chem comp bond: CG,ND1,HIS

ND1,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: ND1
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 203
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: ND1,HD1,HIS
referenced by chem comp bond: CG,ND1,HIS
referenced by chem comp bond: ND1,CE1,HIS

CD2,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: CD2
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 204
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD2,HD2,HIS
referenced by chem comp bond: CG,CD2,HIS
referenced by chem comp bond: CD2,NE2,HIS

CE1,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: CE1
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 205
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE1,HE1,HIS
referenced by chem comp bond: ND1,CE1,HIS
referenced by chem comp bond: CE1,NE2,HIS

NE2,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: NE2
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 206
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: NE2,HE2,HIS
referenced by chem comp bond: CE1,NE2,HIS
referenced by chem comp bond: CD2,NE2,HIS

OXT,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: OXT
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 207
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,HIS
referenced by chem comp bond: C,OXT,HIS

H,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: H
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 208
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,HIS

H2,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: H2
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 209
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,HIS

HA,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: HA
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 210
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,HIS

HB2,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: HB2
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 211
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,HIS

HB3,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: HB3
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 212
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,HIS

HD1,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: HD1
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 213
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: ND1,HD1,HIS

HD2,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: HD2
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 214
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD2,HD2,HIS

HE1,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: HE1
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 215
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE1,HE1,HIS

HE2,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: HE2
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 216
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NE2,HE2,HIS

HXT,HIS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
chem comp atom.atom id: HXT
chem comp atom.comp id: HIS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 217
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,HIS

O,HOH
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HOH
chem comp atom.atom id: O
chem comp atom.comp id: HOH
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 218
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: O,H2,HOH
referenced by chem comp bond: O,H1,HOH

H1,HOH
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HOH
chem comp atom.atom id: H1
chem comp atom.comp id: HOH
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 219
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: O,H1,HOH

H2,HOH
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HOH
chem comp atom.atom id: H2
chem comp atom.comp id: HOH
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 220
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: O,H2,HOH

N,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: N
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 221
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,ILE
referenced by chem comp bond: N,CA,ILE
referenced by chem comp bond: N,H,ILE

CA,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: CA
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 222
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,ILE
referenced by chem comp bond: N,CA,ILE
referenced by chem comp bond: CA,C,ILE
referenced by chem comp bond: CA,CB,ILE

C,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: C
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 223
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,ILE
referenced by chem comp bond: CA,C,ILE
referenced by chem comp bond: C,O,ILE

O,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: O
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 224
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,ILE

CB,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: CB
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 225
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB,ILE
referenced by chem comp bond: CA,CB,ILE
referenced by chem comp bond: CB,CG1,ILE
referenced by chem comp bond: CB,CG2,ILE

CG1,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: CG1
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 226
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG1,HG13,ILE
referenced by chem comp bond: CB,CG1,ILE
referenced by chem comp bond: CG1,CD1,ILE
referenced by chem comp bond: CG1,HG12,ILE

CG2,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: CG2
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 227
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG2,HG23,ILE
referenced by chem comp bond: CB,CG2,ILE
referenced by chem comp bond: CG2,HG21,ILE
referenced by chem comp bond: CG2,HG22,ILE

CD1,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: CD1
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 228
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD1,HD13,ILE
referenced by chem comp bond: CG1,CD1,ILE
referenced by chem comp bond: CD1,HD11,ILE
referenced by chem comp bond: CD1,HD12,ILE

OXT,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: OXT
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 229
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,ILE
referenced by chem comp bond: C,OXT,ILE

H,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: H
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 230
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,ILE

H2,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: H2
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 231
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,ILE

HA,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: HA
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 232
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,ILE

HB,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: HB
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 233
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB,ILE

HG12,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: HG12
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 234
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG1,HG12,ILE

HG13,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: HG13
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 235
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG1,HG13,ILE

HG21,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: HG21
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 236
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG21,ILE

HG22,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: HG22
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 237
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG22,ILE

HG23,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: HG23
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 238
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG23,ILE

HD11,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: HD11
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 239
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD11,ILE

HD12,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: HD12
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 240
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD12,ILE

HD13,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: HD13
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 241
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD13,ILE

HXT,ILE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
chem comp atom.atom id: HXT
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 242
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,ILE

N,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: N
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 243
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,LEU
referenced by chem comp bond: N,CA,LEU
referenced by chem comp bond: N,H,LEU

CA,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: CA
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 244
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,LEU
referenced by chem comp bond: N,CA,LEU
referenced by chem comp bond: CA,C,LEU
referenced by chem comp bond: CA,CB,LEU

C,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: C
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 245
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,LEU
referenced by chem comp bond: CA,C,LEU
referenced by chem comp bond: C,O,LEU

O,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: O
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 246
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,LEU

CB,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: CB
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 247
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,LEU
referenced by chem comp bond: CA,CB,LEU
referenced by chem comp bond: CB,CG,LEU
referenced by chem comp bond: CB,HB2,LEU

CG,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: CG
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 248
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,HG,LEU
referenced by chem comp bond: CB,CG,LEU
referenced by chem comp bond: CG,CD1,LEU
referenced by chem comp bond: CG,CD2,LEU

CD1,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: CD1
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 249
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD1,HD13,LEU
referenced by chem comp bond: CG,CD1,LEU
referenced by chem comp bond: CD1,HD11,LEU
referenced by chem comp bond: CD1,HD12,LEU

CD2,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: CD2
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 250
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD2,HD23,LEU
referenced by chem comp bond: CG,CD2,LEU
referenced by chem comp bond: CD2,HD21,LEU
referenced by chem comp bond: CD2,HD22,LEU

OXT,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: OXT
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 251
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,LEU
referenced by chem comp bond: C,OXT,LEU

H,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: H
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 252
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,LEU

H2,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: H2
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 253
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,LEU

HA,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: HA
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 254
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,LEU

HB2,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: HB2
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 255
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,LEU

HB3,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: HB3
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 256
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,LEU

HG,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: HG
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 257
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG,LEU

HD11,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: HD11
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 258
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD11,LEU

HD12,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: HD12
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 259
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD12,LEU

HD13,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: HD13
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 260
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD13,LEU

HD21,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: HD21
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 261
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD2,HD21,LEU

HD22,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: HD22
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 262
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD2,HD22,LEU

HD23,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: HD23
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 263
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD2,HD23,LEU

HXT,LEU
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
chem comp atom.atom id: HXT
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 264
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,LEU

N,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: N
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 265
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,LYS
referenced by chem comp bond: N,CA,LYS
referenced by chem comp bond: N,H,LYS

CA,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: CA
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 266
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,LYS
referenced by chem comp bond: N,CA,LYS
referenced by chem comp bond: CA,C,LYS
referenced by chem comp bond: CA,CB,LYS

C,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: C
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 267
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,LYS
referenced by chem comp bond: CA,C,LYS
referenced by chem comp bond: C,O,LYS

O,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: O
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 268
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,LYS

CB,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: CB
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 269
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,LYS
referenced by chem comp bond: CA,CB,LYS
referenced by chem comp bond: CB,CG,LYS
referenced by chem comp bond: CB,HB2,LYS

CG,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: CG
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 270
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,HG3,LYS
referenced by chem comp bond: CB,CG,LYS
referenced by chem comp bond: CG,CD,LYS
referenced by chem comp bond: CG,HG2,LYS

CD,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: CD
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 271
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD,HD3,LYS
referenced by chem comp bond: CG,CD,LYS
referenced by chem comp bond: CD,CE,LYS
referenced by chem comp bond: CD,HD2,LYS

CE,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: CE
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 272
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE,HE3,LYS
referenced by chem comp bond: CD,CE,LYS
referenced by chem comp bond: CE,NZ,LYS
referenced by chem comp bond: CE,HE2,LYS

NZ,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: NZ
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 273
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: NZ,HZ3,LYS
referenced by chem comp bond: CE,NZ,LYS
referenced by chem comp bond: NZ,HZ1,LYS
referenced by chem comp bond: NZ,HZ2,LYS

OXT,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: OXT
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 274
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,LYS
referenced by chem comp bond: C,OXT,LYS

H,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: H
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 275
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,LYS

H2,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: H2
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 276
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,LYS

HA,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: HA
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 277
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,LYS

HB2,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: HB2
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 278
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,LYS

HB3,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: HB3
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 279
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,LYS

HG2,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: HG2
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 280
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG2,LYS

HG3,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: HG3
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 281
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG3,LYS

HD2,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: HD2
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 282
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD,HD2,LYS

HD3,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: HD3
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 283
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD,HD3,LYS

HE2,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: HE2
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 284
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE,HE2,LYS

HE3,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: HE3
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 285
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE,HE3,LYS

HZ1,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: HZ1
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 286
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NZ,HZ1,LYS

HZ2,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: HZ2
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 287
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NZ,HZ2,LYS

HZ3,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: HZ3
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 288
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NZ,HZ3,LYS

HXT,LYS
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
chem comp atom.atom id: HXT
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 289
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,LYS

N,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: N
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 290
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,MET
referenced by chem comp bond: N,CA,MET
referenced by chem comp bond: N,H,MET

CA,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: CA
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 291
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,MET
referenced by chem comp bond: N,CA,MET
referenced by chem comp bond: CA,C,MET
referenced by chem comp bond: CA,CB,MET

C,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: C
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 292
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,MET
referenced by chem comp bond: CA,C,MET
referenced by chem comp bond: C,O,MET

O,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: O
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 293
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,MET

CB,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: CB
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 294
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,MET
referenced by chem comp bond: CA,CB,MET
referenced by chem comp bond: CB,CG,MET
referenced by chem comp bond: CB,HB2,MET

CG,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: CG
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 295
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,HG3,MET
referenced by chem comp bond: CB,CG,MET
referenced by chem comp bond: CG,SD,MET
referenced by chem comp bond: CG,HG2,MET

SD,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: SD
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 296
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S
referenced by chem comp bond: SD,CE,MET
referenced by chem comp bond: CG,SD,MET

CE,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: CE
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 297
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE,HE3,MET
referenced by chem comp bond: SD,CE,MET
referenced by chem comp bond: CE,HE1,MET
referenced by chem comp bond: CE,HE2,MET

OXT,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: OXT
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 298
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,MET
referenced by chem comp bond: C,OXT,MET

H,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: H
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 299
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,MET

H2,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: H2
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 300
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,MET

HA,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: HA
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 301
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,MET

HB2,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: HB2
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 302
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,MET

HB3,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: HB3
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 303
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,MET

HG2,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: HG2
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 304
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG2,MET

HG3,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: HG3
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 305
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG3,MET

HE1,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: HE1
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 306
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE,HE1,MET

HE2,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: HE2
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 307
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE,HE2,MET

HE3,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: HE3
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 308
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE,HE3,MET

HXT,MET
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
chem comp atom.atom id: HXT
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 309
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,MET

MG,MG
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MG
chem comp atom.atom id: MG
chem comp atom.comp id: MG
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 310
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: MG

C3&#39;,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: C3'
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 311
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C3&#39;,H3&#39;2,NHE
referenced by chem comp bond: C3&#39;,C2&#39;,NHE
referenced by chem comp bond: C3&#39;,C4&#39;,NHE
referenced by chem comp bond: C3&#39;,H3&#39;1,NHE

C2&#39;,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: C2'
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 312
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C2&#39;,H2&#39;2,NHE
referenced by chem comp bond: C3&#39;,C2&#39;,NHE
referenced by chem comp bond: C2&#39;,C1&#39;,NHE
referenced by chem comp bond: C2&#39;,H2&#39;1,NHE

C1&#39;,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: C1'
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 313
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C1&#39;,HC&#39;1,NHE
referenced by chem comp bond: C2&#39;,C1&#39;,NHE
referenced by chem comp bond: C1&#39;,C6&#39;,NHE
referenced by chem comp bond: C1&#39;,N,NHE

C6&#39;,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: C6'
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 314
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C6&#39;,H6&#39;2,NHE
referenced by chem comp bond: C1&#39;,C6&#39;,NHE
referenced by chem comp bond: C6&#39;,C5&#39;,NHE
referenced by chem comp bond: C6&#39;,H6&#39;1,NHE

N,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: N
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 315
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,HN,NHE
referenced by chem comp bond: C1&#39;,N,NHE
referenced by chem comp bond: N,C1,NHE

C1,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: C1
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 316
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C1,HC12,NHE
referenced by chem comp bond: N,C1,NHE
referenced by chem comp bond: C1,C2,NHE
referenced by chem comp bond: C1,HC11,NHE

C2,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: C2
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 317
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C2,HC22,NHE
referenced by chem comp bond: C1,C2,NHE
referenced by chem comp bond: C2,S,NHE
referenced by chem comp bond: C2,HC21,NHE

S,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: S
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 318
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S
referenced by chem comp bond: S,O3,NHE
referenced by chem comp bond: C2,S,NHE
referenced by chem comp bond: S,O1,NHE
referenced by chem comp bond: S,O2,NHE

O1,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: O1
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 319
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: S,O1,NHE

O2,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: O2
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 320
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: S,O2,NHE

O3,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: O3
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 321
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: O3,HO3,NHE
referenced by chem comp bond: S,O3,NHE

C5&#39;,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: C5'
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 322
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C5&#39;,H5&#39;2,NHE
referenced by chem comp bond: C6&#39;,C5&#39;,NHE
referenced by chem comp bond: C5&#39;,C4&#39;,NHE
referenced by chem comp bond: C5&#39;,H5&#39;1,NHE

C4&#39;,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: C4'
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 323
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C4&#39;,H4&#39;2,NHE
referenced by chem comp bond: C5&#39;,C4&#39;,NHE
referenced by chem comp bond: C3&#39;,C4&#39;,NHE
referenced by chem comp bond: C4&#39;,H4&#39;1,NHE

H3&#39;1,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: H3'1
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 324
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C3&#39;,H3&#39;1,NHE

H3&#39;2,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: H3'2
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 325
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C3&#39;,H3&#39;2,NHE

H2&#39;1,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: H2'1
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 326
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C2&#39;,H2&#39;1,NHE

H2&#39;2,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: H2'2
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 327
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C2&#39;,H2&#39;2,NHE

HC&#39;1,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: HC'1
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 328
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C1&#39;,HC&#39;1,NHE

H6&#39;1,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: H6'1
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 329
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C6&#39;,H6&#39;1,NHE

H6&#39;2,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: H6'2
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 330
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C6&#39;,H6&#39;2,NHE

HN,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: HN
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 331
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,HN,NHE

HC11,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: HC11
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 332
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C1,HC11,NHE

HC12,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: HC12
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 333
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C1,HC12,NHE

HC21,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: HC21
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 334
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C2,HC21,NHE

HC22,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: HC22
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 335
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C2,HC22,NHE

HO3,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: HO3
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 336
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: O3,HO3,NHE

H5&#39;1,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: H5'1
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 337
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C5&#39;,H5&#39;1,NHE

H5&#39;2,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: H5'2
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 338
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C5&#39;,H5&#39;2,NHE

H4&#39;1,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: H4'1
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 339
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C4&#39;,H4&#39;1,NHE

H4&#39;2,NHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: NHE
chem comp atom.atom id: H4'2
chem comp atom.comp id: NHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 340
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C4&#39;,H4&#39;2,NHE

N,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: N
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 341
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,PHE
referenced by chem comp bond: N,CA,PHE
referenced by chem comp bond: N,H,PHE

CA,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: CA
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 342
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,PHE
referenced by chem comp bond: N,CA,PHE
referenced by chem comp bond: CA,C,PHE
referenced by chem comp bond: CA,CB,PHE

C,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: C
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 343
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,PHE
referenced by chem comp bond: CA,C,PHE
referenced by chem comp bond: C,O,PHE

O,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: O
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 344
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,PHE

CB,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: CB
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 345
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,PHE
referenced by chem comp bond: CA,CB,PHE
referenced by chem comp bond: CB,CG,PHE
referenced by chem comp bond: CB,HB2,PHE

CG,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: CG
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 346
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,CD2,PHE
referenced by chem comp bond: CB,CG,PHE
referenced by chem comp bond: CG,CD1,PHE

CD1,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: CD1
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 347
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD1,HD1,PHE
referenced by chem comp bond: CG,CD1,PHE
referenced by chem comp bond: CD1,CE1,PHE

CD2,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: CD2
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 348
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD2,HD2,PHE
referenced by chem comp bond: CG,CD2,PHE
referenced by chem comp bond: CD2,CE2,PHE

CE1,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: CE1
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 349
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE1,HE1,PHE
referenced by chem comp bond: CD1,CE1,PHE
referenced by chem comp bond: CE1,CZ,PHE

CE2,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: CE2
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 350
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE2,HE2,PHE
referenced by chem comp bond: CD2,CE2,PHE
referenced by chem comp bond: CE2,CZ,PHE

CZ,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: CZ
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 351
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CZ,HZ,PHE
referenced by chem comp bond: CE2,CZ,PHE
referenced by chem comp bond: CE1,CZ,PHE

OXT,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: OXT
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 352
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,PHE
referenced by chem comp bond: C,OXT,PHE

H,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: H
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 353
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,PHE

H2,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: H2
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 354
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,PHE

HA,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: HA
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 355
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,PHE

HB2,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: HB2
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 356
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,PHE

HB3,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: HB3
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 357
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,PHE

HD1,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: HD1
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 358
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD1,PHE

HD2,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: HD2
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 359
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD2,HD2,PHE

HE1,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: HE1
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 360
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE1,HE1,PHE

HE2,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: HE2
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 361
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE2,HE2,PHE

HZ,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: HZ
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 362
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CZ,HZ,PHE

HXT,PHE
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
chem comp atom.atom id: HXT
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 363
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,PHE

N,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: N
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 364
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H,PRO
referenced by chem comp bond: N,CA,PRO
referenced by chem comp bond: N,CD,PRO

CA,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: CA
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 365
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,PRO
referenced by chem comp bond: N,CA,PRO
referenced by chem comp bond: CA,C,PRO
referenced by chem comp bond: CA,CB,PRO

C,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: C
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 366
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,PRO
referenced by chem comp bond: CA,C,PRO
referenced by chem comp bond: C,O,PRO

O,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: O
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 367
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,PRO

CB,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: CB
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 368
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,PRO
referenced by chem comp bond: CA,CB,PRO
referenced by chem comp bond: CB,CG,PRO
referenced by chem comp bond: CB,HB2,PRO

CG,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: CG
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 369
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,HG3,PRO
referenced by chem comp bond: CB,CG,PRO
referenced by chem comp bond: CG,CD,PRO
referenced by chem comp bond: CG,HG2,PRO

CD,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: CD
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 370
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD,HD3,PRO
referenced by chem comp bond: CG,CD,PRO
referenced by chem comp bond: N,CD,PRO
referenced by chem comp bond: CD,HD2,PRO

OXT,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: OXT
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 371
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,PRO
referenced by chem comp bond: C,OXT,PRO

H,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: H
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 372
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,PRO

HA,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: HA
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 373
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,PRO

HB2,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: HB2
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 374
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,PRO

HB3,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: HB3
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 375
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,PRO

HG2,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: HG2
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 376
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG2,PRO

HG3,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: HG3
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 377
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG3,PRO

HD2,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: HD2
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 378
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD,HD2,PRO

HD3,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: HD3
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 379
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD,HD3,PRO

HXT,PRO
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
chem comp atom.atom id: HXT
chem comp atom.comp id: PRO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 380
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,PRO

N,SER
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
chem comp atom.atom id: N
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 381
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,SER
referenced by chem comp bond: N,CA,SER
referenced by chem comp bond: N,H,SER

CA,SER
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
chem comp atom.atom id: CA
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 382
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,SER
referenced by chem comp bond: N,CA,SER
referenced by chem comp bond: CA,C,SER
referenced by chem comp bond: CA,CB,SER

C,SER
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
chem comp atom.atom id: C
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 383
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,SER
referenced by chem comp bond: CA,C,SER
referenced by chem comp bond: C,O,SER

O,SER
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
chem comp atom.atom id: O
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 384
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,SER

CB,SER
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
chem comp atom.atom id: CB
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 385
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,SER
referenced by chem comp bond: CA,CB,SER
referenced by chem comp bond: CB,OG,SER
referenced by chem comp bond: CB,HB2,SER

OG,SER
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
chem comp atom.atom id: OG
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 386
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OG,HG,SER
referenced by chem comp bond: CB,OG,SER

OXT,SER
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
chem comp atom.atom id: OXT
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 387
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,SER
referenced by chem comp bond: C,OXT,SER

H,SER
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
chem comp atom.atom id: H
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 388
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,SER

H2,SER
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
chem comp atom.atom id: H2
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 389
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,SER

HA,SER
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
chem comp atom.atom id: HA
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 390
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,SER

HB2,SER
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
chem comp atom.atom id: HB2
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 391
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,SER

HB3,SER
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
chem comp atom.atom id: HB3
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 392
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,SER

HG,SER
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
chem comp atom.atom id: HG
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 393
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OG,HG,SER

HXT,SER
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
chem comp atom.atom id: HXT
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 394
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,SER

S,SO4
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SO4
chem comp atom.atom id: S
chem comp atom.comp id: SO4
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 395
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S
referenced by chem comp bond: S,O4,SO4
referenced by chem comp bond: S,O1,SO4
referenced by chem comp bond: S,O2,SO4
referenced by chem comp bond: S,O3,SO4

O1,SO4
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SO4
chem comp atom.atom id: O1
chem comp atom.comp id: SO4
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 396
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: S,O1,SO4

O2,SO4
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SO4
chem comp atom.atom id: O2
chem comp atom.comp id: SO4
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 397
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: S,O2,SO4

O3,SO4
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SO4
chem comp atom.atom id: O3
chem comp atom.comp id: SO4
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 398
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: S,O3,SO4

O4,SO4
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SO4
chem comp atom.atom id: O4
chem comp atom.comp id: SO4
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 399
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: S,O4,SO4

N,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: N
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 400
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,THR
referenced by chem comp bond: N,CA,THR
referenced by chem comp bond: N,H,THR

CA,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: CA
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 401
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,THR
referenced by chem comp bond: N,CA,THR
referenced by chem comp bond: CA,C,THR
referenced by chem comp bond: CA,CB,THR

C,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: C
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 402
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,THR
referenced by chem comp bond: CA,C,THR
referenced by chem comp bond: C,O,THR

O,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: O
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 403
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,THR

CB,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: CB
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 404
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB,THR
referenced by chem comp bond: CA,CB,THR
referenced by chem comp bond: CB,OG1,THR
referenced by chem comp bond: CB,CG2,THR

OG1,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: OG1
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 405
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OG1,HG1,THR
referenced by chem comp bond: CB,OG1,THR

CG2,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: CG2
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 406
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG2,HG23,THR
referenced by chem comp bond: CB,CG2,THR
referenced by chem comp bond: CG2,HG21,THR
referenced by chem comp bond: CG2,HG22,THR

OXT,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: OXT
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 407
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,THR
referenced by chem comp bond: C,OXT,THR

H,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: H
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 408
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,THR

H2,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: H2
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 409
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,THR

HA,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: HA
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 410
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,THR

HB,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: HB
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 411
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB,THR

HG1,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: HG1
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 412
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OG1,HG1,THR

HG21,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: HG21
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 413
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG21,THR

HG22,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: HG22
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 414
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG22,THR

HG23,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: HG23
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 415
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG23,THR

HXT,THR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
chem comp atom.atom id: HXT
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 416
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,THR

N,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: N
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 417
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,TRP
referenced by chem comp bond: N,CA,TRP
referenced by chem comp bond: N,H,TRP

CA,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: CA
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 418
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,TRP
referenced by chem comp bond: N,CA,TRP
referenced by chem comp bond: CA,C,TRP
referenced by chem comp bond: CA,CB,TRP

C,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: C
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 419
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,TRP
referenced by chem comp bond: CA,C,TRP
referenced by chem comp bond: C,O,TRP

O,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: O
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 420
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,TRP

CB,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: CB
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 421
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,TRP
referenced by chem comp bond: CA,CB,TRP
referenced by chem comp bond: CB,CG,TRP
referenced by chem comp bond: CB,HB2,TRP

CG,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: CG
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 422
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,CD2,TRP
referenced by chem comp bond: CB,CG,TRP
referenced by chem comp bond: CG,CD1,TRP

CD1,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: CD1
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 423
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD1,HD1,TRP
referenced by chem comp bond: CG,CD1,TRP
referenced by chem comp bond: CD1,NE1,TRP

CD2,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: CD2
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 424
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD2,CE3,TRP
referenced by chem comp bond: CG,CD2,TRP
referenced by chem comp bond: CD2,CE2,TRP

NE1,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: NE1
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 425
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: NE1,HE1,TRP
referenced by chem comp bond: CD1,NE1,TRP
referenced by chem comp bond: NE1,CE2,TRP

CE2,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: CE2
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 426
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE2,CZ2,TRP
referenced by chem comp bond: NE1,CE2,TRP
referenced by chem comp bond: CD2,CE2,TRP

CE3,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: CE3
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 427
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE3,HE3,TRP
referenced by chem comp bond: CD2,CE3,TRP
referenced by chem comp bond: CE3,CZ3,TRP

CZ2,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: CZ2
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 428
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CZ2,HZ2,TRP
referenced by chem comp bond: CE2,CZ2,TRP
referenced by chem comp bond: CZ2,CH2,TRP

CZ3,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: CZ3
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 429
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CZ3,HZ3,TRP
referenced by chem comp bond: CE3,CZ3,TRP
referenced by chem comp bond: CZ3,CH2,TRP

CH2,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: CH2
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 430
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CH2,HH2,TRP
referenced by chem comp bond: CZ3,CH2,TRP
referenced by chem comp bond: CZ2,CH2,TRP

OXT,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: OXT
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 431
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,TRP
referenced by chem comp bond: C,OXT,TRP

H,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: H
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 432
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,TRP

H2,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: H2
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 433
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,TRP

HA,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: HA
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 434
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,TRP

HB2,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: HB2
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 435
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,TRP

HB3,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: HB3
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 436
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,TRP

HD1,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: HD1
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 437
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD1,TRP

HE1,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: HE1
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 438
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NE1,HE1,TRP

HE3,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: HE3
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 439
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE3,HE3,TRP

HZ2,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: HZ2
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 440
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CZ2,HZ2,TRP

HZ3,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: HZ3
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 441
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CZ3,HZ3,TRP

HH2,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: HH2
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 442
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CH2,HH2,TRP

HXT,TRP
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
chem comp atom.atom id: HXT
chem comp atom.comp id: TRP
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 443
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,TRP

N,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: N
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 444
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,TYR
referenced by chem comp bond: N,CA,TYR
referenced by chem comp bond: N,H,TYR

CA,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: CA
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 445
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,TYR
referenced by chem comp bond: N,CA,TYR
referenced by chem comp bond: CA,C,TYR
referenced by chem comp bond: CA,CB,TYR

C,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: C
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 446
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,TYR
referenced by chem comp bond: CA,C,TYR
referenced by chem comp bond: C,O,TYR

O,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: O
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 447
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,TYR

CB,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: CB
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 448
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,TYR
referenced by chem comp bond: CA,CB,TYR
referenced by chem comp bond: CB,CG,TYR
referenced by chem comp bond: CB,HB2,TYR

CG,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: CG
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 449
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,CD2,TYR
referenced by chem comp bond: CB,CG,TYR
referenced by chem comp bond: CG,CD1,TYR

CD1,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: CD1
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 450
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD1,HD1,TYR
referenced by chem comp bond: CG,CD1,TYR
referenced by chem comp bond: CD1,CE1,TYR

CD2,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: CD2
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 451
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD2,HD2,TYR
referenced by chem comp bond: CG,CD2,TYR
referenced by chem comp bond: CD2,CE2,TYR

CE1,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: CE1
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 452
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE1,HE1,TYR
referenced by chem comp bond: CD1,CE1,TYR
referenced by chem comp bond: CE1,CZ,TYR

CE2,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: CE2
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 453
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE2,HE2,TYR
referenced by chem comp bond: CD2,CE2,TYR
referenced by chem comp bond: CE2,CZ,TYR

CZ,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: CZ
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 454
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CZ,OH,TYR
referenced by chem comp bond: CE2,CZ,TYR
referenced by chem comp bond: CE1,CZ,TYR

OH,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: OH
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 455
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OH,HH,TYR
referenced by chem comp bond: CZ,OH,TYR

OXT,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: OXT
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 456
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,TYR
referenced by chem comp bond: C,OXT,TYR

H,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: H
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 457
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,TYR

H2,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: H2
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 458
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,TYR

HA,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: HA
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 459
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,TYR

HB2,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: HB2
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 460
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,TYR

HB3,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: HB3
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 461
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,TYR

HD1,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: HD1
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 462
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD1,TYR

HD2,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: HD2
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 463
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD2,HD2,TYR

HE1,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: HE1
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 464
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE1,HE1,TYR

HE2,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: HE2
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 465
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE2,HE2,TYR

HH,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: HH
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 466
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OH,HH,TYR

HXT,TYR
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
chem comp atom.atom id: HXT
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 467
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,TYR

N,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: N
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 468
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,VAL
referenced by chem comp bond: N,CA,VAL
referenced by chem comp bond: N,H,VAL

CA,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: CA
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 469
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,VAL
referenced by chem comp bond: N,CA,VAL
referenced by chem comp bond: CA,C,VAL
referenced by chem comp bond: CA,CB,VAL

C,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: C
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 470
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,VAL
referenced by chem comp bond: CA,C,VAL
referenced by chem comp bond: C,O,VAL

O,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: O
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 471
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,VAL

CB,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: CB
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 472
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB,VAL
referenced by chem comp bond: CA,CB,VAL
referenced by chem comp bond: CB,CG1,VAL
referenced by chem comp bond: CB,CG2,VAL

CG1,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: CG1
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 473
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG1,HG13,VAL
referenced by chem comp bond: CB,CG1,VAL
referenced by chem comp bond: CG1,HG11,VAL
referenced by chem comp bond: CG1,HG12,VAL

CG2,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: CG2
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 474
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG2,HG23,VAL
referenced by chem comp bond: CB,CG2,VAL
referenced by chem comp bond: CG2,HG21,VAL
referenced by chem comp bond: CG2,HG22,VAL

OXT,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: OXT
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 475
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,VAL
referenced by chem comp bond: C,OXT,VAL

H,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: H
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 476
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,VAL

H2,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: H2
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 477
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,VAL

HA,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: HA
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 478
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,VAL

HB,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: HB
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 479
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB,VAL

HG11,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: HG11
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 480
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG1,HG11,VAL

HG12,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: HG12
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 481
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG1,HG12,VAL

HG13,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: HG13
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 482
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG1,HG13,VAL

HG21,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: HG21
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 483
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG21,VAL

HG22,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: HG22
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 484
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG22,VAL

HG23,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: HG23
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 485
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG23,VAL

HXT,VAL
type: chem comp atom
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
chem comp atom.atom id: HXT
chem comp atom.comp id: VAL
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 486
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,VAL

F33,C25,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: F33,76T
reference to chem comp atom: C25,76T
reference to chem comp: 76T
chem comp bond.atom id 1: F33
chem comp bond.atom id 2: C25
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C31,C25,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C31,76T
reference to chem comp atom: C25,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: C25
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C31,C20,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C31,76T
reference to chem comp atom: C20,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: C20
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C25,C32,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C25,76T
reference to chem comp atom: C32,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C32
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,C13,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C20,76T
reference to chem comp atom: C13,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C13
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C34,C35,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C34,76T
reference to chem comp atom: C35,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C34
chem comp bond.atom id 2: C35
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C34,C36,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C34,76T
reference to chem comp atom: C36,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C34
chem comp bond.atom id 2: C36
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C35,C30,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C35,76T
reference to chem comp atom: C30,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C35
chem comp bond.atom id 2: C30
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C32,C19,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C32,76T
reference to chem comp atom: C19,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C32
chem comp bond.atom id 2: C19
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C13,C19,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C13,76T
reference to chem comp atom: C19,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C19
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,C6,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C13,76T
reference to chem comp atom: C6,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C6
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C36,C28,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C36,76T
reference to chem comp atom: C28,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C36
chem comp bond.atom id 2: C28
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C26,C30,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C26,76T
reference to chem comp atom: C30,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C30
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C26,N17,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C26,76T
reference to chem comp atom: N17,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: N17
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C30,C27,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C30,76T
reference to chem comp atom: C27,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: C27
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C6,C3,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C6,76T
reference to chem comp atom: C3,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C3
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C6,C10,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C6,76T
reference to chem comp atom: C10,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C10
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,C1,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C3,76T
reference to chem comp atom: C1,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C1
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,C7,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C10,76T
reference to chem comp atom: C7,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C7
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

N17,C21,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N17,76T
reference to chem comp atom: C21,76T
reference to chem comp: 76T
chem comp bond.atom id 1: N17
chem comp bond.atom id 2: C21
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C28,C27,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C28,76T
reference to chem comp atom: C27,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: C27
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C28,C23,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C28,76T
reference to chem comp atom: C23,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: C23
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,C4,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C1,76T
reference to chem comp atom: C4,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C4
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,C2,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C1,76T
reference to chem comp atom: C2,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C7,C2,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C7,76T
reference to chem comp atom: C2,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C2
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,O24,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C7,76T
reference to chem comp atom: O24,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: O24
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O16,C4,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: O16,76T
reference to chem comp atom: C4,76T
reference to chem comp: 76T
chem comp bond.atom id 1: O16
chem comp bond.atom id 2: C4
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C4,N11,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C4,76T
reference to chem comp atom: N11,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: N11
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,O22,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C2,76T
reference to chem comp atom: O22,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: O22
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N11,C23,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N11,76T
reference to chem comp atom: C23,76T
reference to chem comp: 76T
chem comp bond.atom id 1: N11
chem comp bond.atom id 2: C23
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,C29,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C21,76T
reference to chem comp atom: C29,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C29
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,C15,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C21,76T
reference to chem comp atom: C15,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C15
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C29,C18,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C29,76T
reference to chem comp atom: C18,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: C18
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C15,C8,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C15,76T
reference to chem comp atom: C8,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C8
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 34
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,C12,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C18,76T
reference to chem comp atom: C12,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C12
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C8,C12,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C8,76T
reference to chem comp atom: C12,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C12
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C8,C14,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C8,76T
reference to chem comp atom: C14,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C14
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,N9,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C12,76T
reference to chem comp atom: N9,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: N9
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,N5,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C14,76T
reference to chem comp atom: N5,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: N5
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

N9,N5,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N9,76T
reference to chem comp atom: N5,76T
reference to chem comp: 76T
chem comp bond.atom id 1: N9
chem comp bond.atom id 2: N5
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,H1,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C10,76T
reference to chem comp atom: H1,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H1
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,H2,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C15,76T
reference to chem comp atom: H2,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H2
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,H3,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C20,76T
reference to chem comp atom: H3,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H3
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 43
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C26,H4,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C26,76T
reference to chem comp atom: H4,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: H4
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 44
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C26,H5,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C26,76T
reference to chem comp atom: H5,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: H5
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 45
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H6,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C3,76T
reference to chem comp atom: H6,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H6
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 46
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N11,H8,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N11,76T
reference to chem comp atom: H8,76T
reference to chem comp: 76T
chem comp bond.atom id 1: N11
chem comp bond.atom id 2: H8
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 47
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,H9,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C14,76T
reference to chem comp atom: H9,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H9
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 48
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N17,H10,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N17,76T
reference to chem comp atom: H10,76T
reference to chem comp: 76T
chem comp bond.atom id 1: N17
chem comp bond.atom id 2: H10
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 49
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,H11,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C18,76T
reference to chem comp atom: H11,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H11
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 50
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C19,H12,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C19,76T
reference to chem comp atom: H12,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H12
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 51
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O22,H13,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: O22,76T
reference to chem comp atom: H13,76T
reference to chem comp: 76T
chem comp bond.atom id 1: O22
chem comp bond.atom id 2: H13
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 52
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C23,H14,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C23,76T
reference to chem comp atom: H14,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: H14
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 53
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C23,H15,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C23,76T
reference to chem comp atom: H15,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: H15
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 54
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O24,H16,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: O24,76T
reference to chem comp atom: H16,76T
reference to chem comp: 76T
chem comp bond.atom id 1: O24
chem comp bond.atom id 2: H16
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 55
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C27,H17,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C27,76T
reference to chem comp atom: H17,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: H17
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 56
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C29,H18,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C29,76T
reference to chem comp atom: H18,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: H18
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 57
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C31,H19,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C31,76T
reference to chem comp atom: H19,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: H19
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 58
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C32,H20,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C32,76T
reference to chem comp atom: H20,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C32
chem comp bond.atom id 2: H20
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 59
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C34,H21,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C34,76T
reference to chem comp atom: H21,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C34
chem comp bond.atom id 2: H21
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 60
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C35,H22,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C35,76T
reference to chem comp atom: H22,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C35
chem comp bond.atom id 2: H22
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 61
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C36,H23,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C36,76T
reference to chem comp atom: H23,76T
reference to chem comp: 76T
chem comp bond.atom id 1: C36
chem comp bond.atom id 2: H23
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 62
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N9,H7,76T
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N9,76T
reference to chem comp atom: H7,76T
reference to chem comp: 76T
chem comp bond.atom id 1: N9
chem comp bond.atom id 2: H7
chem comp bond.comp id: 76T
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 63
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,ALA
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,ALA
reference to chem comp atom: CA,ALA
reference to chem comp: ALA
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: ALA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 64
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,ALA
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,ALA
reference to chem comp atom: H,ALA
reference to chem comp: ALA
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: ALA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 65
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,ALA
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,ALA
reference to chem comp atom: H2,ALA
reference to chem comp: ALA
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: ALA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 66
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,ALA
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,ALA
reference to chem comp atom: C,ALA
reference to chem comp: ALA
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: ALA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 67
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,ALA
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,ALA
reference to chem comp atom: CB,ALA
reference to chem comp: ALA
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: ALA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 68
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,ALA
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,ALA
reference to chem comp atom: HA,ALA
reference to chem comp: ALA
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: ALA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 69
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,ALA
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,ALA
reference to chem comp atom: O,ALA
reference to chem comp: ALA
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: ALA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 70
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,ALA
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,ALA
reference to chem comp atom: OXT,ALA
reference to chem comp: ALA
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: ALA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 71
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB1,ALA
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,ALA
reference to chem comp atom: HB1,ALA
reference to chem comp: ALA
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB1
chem comp bond.comp id: ALA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 72
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,ALA
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,ALA
reference to chem comp atom: HB2,ALA
reference to chem comp: ALA
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: ALA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 73
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,ALA
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,ALA
reference to chem comp atom: HB3,ALA
reference to chem comp: ALA
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: ALA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 74
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,ALA
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,ALA
reference to chem comp atom: HXT,ALA
reference to chem comp: ALA
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: ALA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 75
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,ARG
reference to chem comp atom: CA,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 76
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,ARG
reference to chem comp atom: H,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 77
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,ARG
reference to chem comp atom: H2,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 78
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,ARG
reference to chem comp atom: C,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 79
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,ARG
reference to chem comp atom: CB,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 80
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,ARG
reference to chem comp atom: HA,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 81
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,ARG
reference to chem comp atom: O,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 82
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,ARG
reference to chem comp atom: OXT,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 83
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,ARG
reference to chem comp atom: CG,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 84
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,ARG
reference to chem comp atom: HB2,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 85
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,ARG
reference to chem comp atom: HB3,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 86
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,ARG
reference to chem comp atom: CD,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 87
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG2,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,ARG
reference to chem comp atom: HG2,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 88
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG3,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,ARG
reference to chem comp atom: HG3,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 89
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD,NE,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD,ARG
reference to chem comp atom: NE,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: NE
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 90
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD,HD2,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD,ARG
reference to chem comp atom: HD2,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: HD2
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 91
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD,HD3,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD,ARG
reference to chem comp atom: HD3,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: HD3
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 92
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NE,CZ,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: NE,ARG
reference to chem comp atom: CZ,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: NE
chem comp bond.atom id 2: CZ
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 93
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NE,HE,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: NE,ARG
reference to chem comp atom: HE,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: NE
chem comp bond.atom id 2: HE
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 94
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CZ,NH1,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CZ,ARG
reference to chem comp atom: NH1,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: CZ
chem comp bond.atom id 2: NH1
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 95
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CZ,NH2,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CZ,ARG
reference to chem comp atom: NH2,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: CZ
chem comp bond.atom id 2: NH2
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 96
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

NH1,HH11,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: NH1,ARG
reference to chem comp atom: HH11,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: NH1
chem comp bond.atom id 2: HH11
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 97
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NH1,HH12,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: NH1,ARG
reference to chem comp atom: HH12,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: NH1
chem comp bond.atom id 2: HH12
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 98
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NH2,HH21,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: NH2,ARG
reference to chem comp atom: HH21,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: NH2
chem comp bond.atom id 2: HH21
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 99
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NH2,HH22,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: NH2,ARG
reference to chem comp atom: HH22,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: NH2
chem comp bond.atom id 2: HH22
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 100
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,ARG
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,ARG
reference to chem comp atom: HXT,ARG
reference to chem comp: ARG
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: ARG
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 101
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,ASN
reference to chem comp atom: CA,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 102
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,ASN
reference to chem comp atom: H,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 103
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,ASN
reference to chem comp atom: H2,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 104
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,ASN
reference to chem comp atom: C,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 105
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,ASN
reference to chem comp atom: CB,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 106
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,ASN
reference to chem comp atom: HA,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 107
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,ASN
reference to chem comp atom: O,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 108
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,ASN
reference to chem comp atom: OXT,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 109
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,ASN
reference to chem comp atom: CG,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 110
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,ASN
reference to chem comp atom: HB2,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 111
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,ASN
reference to chem comp atom: HB3,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 112
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,OD1,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,ASN
reference to chem comp atom: OD1,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: OD1
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 113
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CG,ND2,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,ASN
reference to chem comp atom: ND2,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: ND2
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 114
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

ND2,HD21,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: ND2,ASN
reference to chem comp atom: HD21,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: ND2
chem comp bond.atom id 2: HD21
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 115
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

ND2,HD22,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: ND2,ASN
reference to chem comp atom: HD22,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: ND2
chem comp bond.atom id 2: HD22
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 116
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,ASN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,ASN
reference to chem comp atom: HXT,ASN
reference to chem comp: ASN
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: ASN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 117
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,ASP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,ASP
reference to chem comp atom: CA,ASP
reference to chem comp: ASP
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: ASP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 118
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,ASP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,ASP
reference to chem comp atom: H,ASP
reference to chem comp: ASP
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: ASP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 119
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,ASP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,ASP
reference to chem comp atom: H2,ASP
reference to chem comp: ASP
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: ASP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 120
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,ASP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,ASP
reference to chem comp atom: C,ASP
reference to chem comp: ASP
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: ASP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 121
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,ASP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,ASP
reference to chem comp atom: CB,ASP
reference to chem comp: ASP
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: ASP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 122
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,ASP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,ASP
reference to chem comp atom: HA,ASP
reference to chem comp: ASP
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: ASP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 123
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,ASP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,ASP
reference to chem comp atom: O,ASP
reference to chem comp: ASP
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: ASP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 124
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,ASP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,ASP
reference to chem comp atom: OXT,ASP
reference to chem comp: ASP
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: ASP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 125
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,ASP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,ASP
reference to chem comp atom: CG,ASP
reference to chem comp: ASP
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: ASP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 126
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,ASP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,ASP
reference to chem comp atom: HB2,ASP
reference to chem comp: ASP
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: ASP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 127
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,ASP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,ASP
reference to chem comp atom: HB3,ASP
reference to chem comp: ASP
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: ASP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 128
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,OD1,ASP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,ASP
reference to chem comp atom: OD1,ASP
reference to chem comp: ASP
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: OD1
chem comp bond.comp id: ASP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 129
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CG,OD2,ASP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,ASP
reference to chem comp atom: OD2,ASP
reference to chem comp: ASP
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: OD2
chem comp bond.comp id: ASP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 130
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OD2,HD2,ASP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OD2,ASP
reference to chem comp atom: HD2,ASP
reference to chem comp: ASP
chem comp bond.atom id 1: OD2
chem comp bond.atom id 2: HD2
chem comp bond.comp id: ASP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 131
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,ASP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,ASP
reference to chem comp atom: HXT,ASP
reference to chem comp: ASP
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: ASP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 132
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,CYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,CYS
reference to chem comp atom: CA,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 133
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,CYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,CYS
reference to chem comp atom: H,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 134
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,CYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,CYS
reference to chem comp atom: H2,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 135
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,CYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,CYS
reference to chem comp atom: C,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 136
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,CYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,CYS
reference to chem comp atom: CB,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 137
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,CYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,CYS
reference to chem comp atom: HA,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 138
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,CYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,CYS
reference to chem comp atom: O,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 139
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,CYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,CYS
reference to chem comp atom: OXT,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 140
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,SG,CYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,CYS
reference to chem comp atom: SG,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: SG
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 141
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,CYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,CYS
reference to chem comp atom: HB2,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 142
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,CYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,CYS
reference to chem comp atom: HB3,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 143
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

SG,HG,CYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: SG,CYS
reference to chem comp atom: HG,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: SG
chem comp bond.atom id 2: HG
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 144
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,CYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,CYS
reference to chem comp atom: HXT,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 145
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,GLN
reference to chem comp atom: CA,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 146
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,GLN
reference to chem comp atom: H,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 147
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,GLN
reference to chem comp atom: H2,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 148
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,GLN
reference to chem comp atom: C,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 149
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,GLN
reference to chem comp atom: CB,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 150
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,GLN
reference to chem comp atom: HA,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 151
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,GLN
reference to chem comp atom: O,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 152
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,GLN
reference to chem comp atom: OXT,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 153
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,GLN
reference to chem comp atom: CG,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 154
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,GLN
reference to chem comp atom: HB2,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 155
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,GLN
reference to chem comp atom: HB3,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 156
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,GLN
reference to chem comp atom: CD,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 157
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG2,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,GLN
reference to chem comp atom: HG2,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 158
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG3,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,GLN
reference to chem comp atom: HG3,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 159
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD,OE1,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD,GLN
reference to chem comp atom: OE1,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: OE1
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 160
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CD,NE2,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD,GLN
reference to chem comp atom: NE2,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: NE2
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 161
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NE2,HE21,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: NE2,GLN
reference to chem comp atom: HE21,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: NE2
chem comp bond.atom id 2: HE21
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 162
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NE2,HE22,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: NE2,GLN
reference to chem comp atom: HE22,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: NE2
chem comp bond.atom id 2: HE22
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 163
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,GLN
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,GLN
reference to chem comp atom: HXT,GLN
reference to chem comp: GLN
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: GLN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 164
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,GLU
reference to chem comp atom: CA,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 165
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,GLU
reference to chem comp atom: H,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 166
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,GLU
reference to chem comp atom: H2,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 167
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,GLU
reference to chem comp atom: C,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 168
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,GLU
reference to chem comp atom: CB,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 169
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,GLU
reference to chem comp atom: HA,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 170
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,GLU
reference to chem comp atom: O,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 171
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,GLU
reference to chem comp atom: OXT,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 172
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,GLU
reference to chem comp atom: CG,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 173
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,GLU
reference to chem comp atom: HB2,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 174
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,GLU
reference to chem comp atom: HB3,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 175
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,GLU
reference to chem comp atom: CD,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 176
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG2,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,GLU
reference to chem comp atom: HG2,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 177
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG3,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,GLU
reference to chem comp atom: HG3,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 178
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD,OE1,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD,GLU
reference to chem comp atom: OE1,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: OE1
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 179
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CD,OE2,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD,GLU
reference to chem comp atom: OE2,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: OE2
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 180
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OE2,HE2,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OE2,GLU
reference to chem comp atom: HE2,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: OE2
chem comp bond.atom id 2: HE2
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 181
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,GLU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,GLU
reference to chem comp atom: HXT,GLU
reference to chem comp: GLU
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: GLU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 182
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,GLY
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,GLY
reference to chem comp atom: CA,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 183
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,GLY
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,GLY
reference to chem comp atom: H,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 184
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,GLY
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,GLY
reference to chem comp atom: H2,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 185
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,GLY
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,GLY
reference to chem comp atom: C,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 186
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA2,GLY
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,GLY
reference to chem comp atom: HA2,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA2
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 187
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA3,GLY
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,GLY
reference to chem comp atom: HA3,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA3
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 188
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,GLY
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,GLY
reference to chem comp atom: O,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 189
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,GLY
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,GLY
reference to chem comp atom: OXT,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 190
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,GLY
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,GLY
reference to chem comp atom: HXT,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 191
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,HIS
reference to chem comp atom: CA,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 192
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,HIS
reference to chem comp atom: H,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 193
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,HIS
reference to chem comp atom: H2,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 194
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,HIS
reference to chem comp atom: C,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 195
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,HIS
reference to chem comp atom: CB,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 196
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,HIS
reference to chem comp atom: HA,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 197
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,HIS
reference to chem comp atom: O,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 198
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,HIS
reference to chem comp atom: OXT,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 199
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,HIS
reference to chem comp atom: CG,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 200
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,HIS
reference to chem comp atom: HB2,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 201
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,HIS
reference to chem comp atom: HB3,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 202
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,ND1,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,HIS
reference to chem comp atom: ND1,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: ND1
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 203
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD2,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,HIS
reference to chem comp atom: CD2,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD2
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 204
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

ND1,CE1,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: ND1,HIS
reference to chem comp atom: CE1,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: ND1
chem comp bond.atom id 2: CE1
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 205
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

ND1,HD1,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: ND1,HIS
reference to chem comp atom: HD1,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: ND1
chem comp bond.atom id 2: HD1
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 206
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD2,NE2,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD2,HIS
reference to chem comp atom: NE2,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: NE2
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 207
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD2,HD2,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD2,HIS
reference to chem comp atom: HD2,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: HD2
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 208
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE1,NE2,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE1,HIS
reference to chem comp atom: NE2,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: CE1
chem comp bond.atom id 2: NE2
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 209
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE1,HE1,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE1,HIS
reference to chem comp atom: HE1,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: CE1
chem comp bond.atom id 2: HE1
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 210
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NE2,HE2,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: NE2,HIS
reference to chem comp atom: HE2,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: NE2
chem comp bond.atom id 2: HE2
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 211
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,HIS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,HIS
reference to chem comp atom: HXT,HIS
reference to chem comp: HIS
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: HIS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 212
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O,H1,HOH
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: O,HOH
reference to chem comp atom: H1,HOH
reference to chem comp: HOH
chem comp bond.atom id 1: O
chem comp bond.atom id 2: H1
chem comp bond.comp id: HOH
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 213
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O,H2,HOH
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: O,HOH
reference to chem comp atom: H2,HOH
reference to chem comp: HOH
chem comp bond.atom id 1: O
chem comp bond.atom id 2: H2
chem comp bond.comp id: HOH
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 214
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,ILE
reference to chem comp atom: CA,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 215
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,ILE
reference to chem comp atom: H,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 216
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,ILE
reference to chem comp atom: H2,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 217
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,ILE
reference to chem comp atom: C,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 218
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,ILE
reference to chem comp atom: CB,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 219
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,ILE
reference to chem comp atom: HA,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 220
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,ILE
reference to chem comp atom: O,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 221
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,ILE
reference to chem comp atom: OXT,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 222
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG1,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,ILE
reference to chem comp atom: CG1,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG1
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 223
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG2,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,ILE
reference to chem comp atom: CG2,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG2
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 224
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,ILE
reference to chem comp atom: HB,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 225
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG1,CD1,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG1,ILE
reference to chem comp atom: CD1,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CG1
chem comp bond.atom id 2: CD1
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 226
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG1,HG12,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG1,ILE
reference to chem comp atom: HG12,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CG1
chem comp bond.atom id 2: HG12
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 227
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG1,HG13,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG1,ILE
reference to chem comp atom: HG13,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CG1
chem comp bond.atom id 2: HG13
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 228
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG21,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG2,ILE
reference to chem comp atom: HG21,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG21
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 229
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG22,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG2,ILE
reference to chem comp atom: HG22,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG22
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 230
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG23,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG2,ILE
reference to chem comp atom: HG23,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG23
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 231
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD11,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD1,ILE
reference to chem comp atom: HD11,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD11
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 232
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD12,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD1,ILE
reference to chem comp atom: HD12,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD12
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 233
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD13,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD1,ILE
reference to chem comp atom: HD13,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD13
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 234
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,ILE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,ILE
reference to chem comp atom: HXT,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 235
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,LEU
reference to chem comp atom: CA,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 236
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,LEU
reference to chem comp atom: H,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 237
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,LEU
reference to chem comp atom: H2,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 238
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,LEU
reference to chem comp atom: C,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 239
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,LEU
reference to chem comp atom: CB,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 240
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,LEU
reference to chem comp atom: HA,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 241
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,LEU
reference to chem comp atom: O,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 242
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,LEU
reference to chem comp atom: OXT,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 243
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,LEU
reference to chem comp atom: CG,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 244
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,LEU
reference to chem comp atom: HB2,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 245
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,LEU
reference to chem comp atom: HB3,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 246
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD1,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,LEU
reference to chem comp atom: CD1,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD1
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 247
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD2,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,LEU
reference to chem comp atom: CD2,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD2
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 248
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,LEU
reference to chem comp atom: HG,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 249
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD11,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD1,LEU
reference to chem comp atom: HD11,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD11
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 250
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD12,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD1,LEU
reference to chem comp atom: HD12,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD12
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 251
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD13,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD1,LEU
reference to chem comp atom: HD13,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD13
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 252
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD2,HD21,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD2,LEU
reference to chem comp atom: HD21,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: HD21
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 253
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD2,HD22,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD2,LEU
reference to chem comp atom: HD22,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: HD22
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 254
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD2,HD23,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD2,LEU
reference to chem comp atom: HD23,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: HD23
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 255
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,LEU
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,LEU
reference to chem comp atom: HXT,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 256
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,LYS
reference to chem comp atom: CA,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 257
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,LYS
reference to chem comp atom: H,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 258
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,LYS
reference to chem comp atom: H2,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 259
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,LYS
reference to chem comp atom: C,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 260
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,LYS
reference to chem comp atom: CB,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 261
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,LYS
reference to chem comp atom: HA,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 262
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,LYS
reference to chem comp atom: O,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 263
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,LYS
reference to chem comp atom: OXT,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 264
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,LYS
reference to chem comp atom: CG,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 265
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,LYS
reference to chem comp atom: HB2,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 266
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,LYS
reference to chem comp atom: HB3,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 267
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,LYS
reference to chem comp atom: CD,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 268
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG2,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,LYS
reference to chem comp atom: HG2,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 269
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG3,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,LYS
reference to chem comp atom: HG3,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 270
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD,CE,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD,LYS
reference to chem comp atom: CE,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: CE
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 271
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD,HD2,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD,LYS
reference to chem comp atom: HD2,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: HD2
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 272
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD,HD3,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD,LYS
reference to chem comp atom: HD3,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: HD3
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 273
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE,NZ,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE,LYS
reference to chem comp atom: NZ,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CE
chem comp bond.atom id 2: NZ
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 274
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE,HE2,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE,LYS
reference to chem comp atom: HE2,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CE
chem comp bond.atom id 2: HE2
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 275
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE,HE3,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE,LYS
reference to chem comp atom: HE3,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CE
chem comp bond.atom id 2: HE3
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 276
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NZ,HZ1,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: NZ,LYS
reference to chem comp atom: HZ1,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: NZ
chem comp bond.atom id 2: HZ1
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 277
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NZ,HZ2,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: NZ,LYS
reference to chem comp atom: HZ2,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: NZ
chem comp bond.atom id 2: HZ2
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 278
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NZ,HZ3,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: NZ,LYS
reference to chem comp atom: HZ3,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: NZ
chem comp bond.atom id 2: HZ3
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 279
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,LYS
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,LYS
reference to chem comp atom: HXT,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 280
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,MET
reference to chem comp atom: CA,MET
reference to chem comp: MET
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 281
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,MET
reference to chem comp atom: H,MET
reference to chem comp: MET
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 282
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,MET
reference to chem comp atom: H2,MET
reference to chem comp: MET
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 283
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,MET
reference to chem comp atom: C,MET
reference to chem comp: MET
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 284
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,MET
reference to chem comp atom: CB,MET
reference to chem comp: MET
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 285
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,MET
reference to chem comp atom: HA,MET
reference to chem comp: MET
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 286
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,MET
reference to chem comp atom: O,MET
reference to chem comp: MET
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 287
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,MET
reference to chem comp atom: OXT,MET
reference to chem comp: MET
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 288
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,MET
reference to chem comp atom: CG,MET
reference to chem comp: MET
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 289
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,MET
reference to chem comp atom: HB2,MET
reference to chem comp: MET
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 290
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,MET
reference to chem comp atom: HB3,MET
reference to chem comp: MET
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 291
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,SD,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,MET
reference to chem comp atom: SD,MET
reference to chem comp: MET
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: SD
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 292
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG2,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,MET
reference to chem comp atom: HG2,MET
reference to chem comp: MET
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 293
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG3,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,MET
reference to chem comp atom: HG3,MET
reference to chem comp: MET
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 294
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

SD,CE,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: SD,MET
reference to chem comp atom: CE,MET
reference to chem comp: MET
chem comp bond.atom id 1: SD
chem comp bond.atom id 2: CE
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 295
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE,HE1,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE,MET
reference to chem comp atom: HE1,MET
reference to chem comp: MET
chem comp bond.atom id 1: CE
chem comp bond.atom id 2: HE1
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 296
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE,HE2,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE,MET
reference to chem comp atom: HE2,MET
reference to chem comp: MET
chem comp bond.atom id 1: CE
chem comp bond.atom id 2: HE2
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 297
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE,HE3,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE,MET
reference to chem comp atom: HE3,MET
reference to chem comp: MET
chem comp bond.atom id 1: CE
chem comp bond.atom id 2: HE3
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 298
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,MET
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,MET
reference to chem comp atom: HXT,MET
reference to chem comp: MET
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 299
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3&#39;,C2&#39;,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C3&#39;,NHE
reference to chem comp atom: C2&#39;,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C3'
chem comp bond.atom id 2: C2'
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 300
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3&#39;,C4&#39;,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C3&#39;,NHE
reference to chem comp atom: C4&#39;,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C3'
chem comp bond.atom id 2: C4'
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 301
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3&#39;,H3&#39;1,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C3&#39;,NHE
reference to chem comp atom: H3&#39;1,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C3'
chem comp bond.atom id 2: H3'1
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 302
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3&#39;,H3&#39;2,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C3&#39;,NHE
reference to chem comp atom: H3&#39;2,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C3'
chem comp bond.atom id 2: H3'2
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 303
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2&#39;,C1&#39;,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C2&#39;,NHE
reference to chem comp atom: C1&#39;,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C2'
chem comp bond.atom id 2: C1'
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 304
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2&#39;,H2&#39;1,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C2&#39;,NHE
reference to chem comp atom: H2&#39;1,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C2'
chem comp bond.atom id 2: H2'1
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 305
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2&#39;,H2&#39;2,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C2&#39;,NHE
reference to chem comp atom: H2&#39;2,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C2'
chem comp bond.atom id 2: H2'2
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 306
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1&#39;,C6&#39;,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C1&#39;,NHE
reference to chem comp atom: C6&#39;,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C1'
chem comp bond.atom id 2: C6'
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 307
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1&#39;,N,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C1&#39;,NHE
reference to chem comp atom: N,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C1'
chem comp bond.atom id 2: N
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 308
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1&#39;,HC&#39;1,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C1&#39;,NHE
reference to chem comp atom: HC&#39;1,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C1'
chem comp bond.atom id 2: HC'1
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 309
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6&#39;,C5&#39;,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C6&#39;,NHE
reference to chem comp atom: C5&#39;,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C6'
chem comp bond.atom id 2: C5'
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 310
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6&#39;,H6&#39;1,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C6&#39;,NHE
reference to chem comp atom: H6&#39;1,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C6'
chem comp bond.atom id 2: H6'1
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 311
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6&#39;,H6&#39;2,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C6&#39;,NHE
reference to chem comp atom: H6&#39;2,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C6'
chem comp bond.atom id 2: H6'2
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 312
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,C1,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,NHE
reference to chem comp atom: C1,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: N
chem comp bond.atom id 2: C1
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 313
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,HN,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,NHE
reference to chem comp atom: HN,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: N
chem comp bond.atom id 2: HN
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 314
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,C2,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C1,NHE
reference to chem comp atom: C2,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 315
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,HC11,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C1,NHE
reference to chem comp atom: HC11,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: HC11
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 316
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,HC12,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C1,NHE
reference to chem comp atom: HC12,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: HC12
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 317
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,S,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C2,NHE
reference to chem comp atom: S,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: S
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 318
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,HC21,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C2,NHE
reference to chem comp atom: HC21,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: HC21
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 319
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,HC22,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C2,NHE
reference to chem comp atom: HC22,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: HC22
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 320
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

S,O1,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: S,NHE
reference to chem comp atom: O1,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: S
chem comp bond.atom id 2: O1
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 321
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

S,O2,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: S,NHE
reference to chem comp atom: O2,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: S
chem comp bond.atom id 2: O2
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 322
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

S,O3,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: S,NHE
reference to chem comp atom: O3,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: S
chem comp bond.atom id 2: O3
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 323
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O3,HO3,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: O3,NHE
reference to chem comp atom: HO3,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: O3
chem comp bond.atom id 2: HO3
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 324
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5&#39;,C4&#39;,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C5&#39;,NHE
reference to chem comp atom: C4&#39;,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C5'
chem comp bond.atom id 2: C4'
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 325
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5&#39;,H5&#39;1,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C5&#39;,NHE
reference to chem comp atom: H5&#39;1,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C5'
chem comp bond.atom id 2: H5'1
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 326
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5&#39;,H5&#39;2,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C5&#39;,NHE
reference to chem comp atom: H5&#39;2,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C5'
chem comp bond.atom id 2: H5'2
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 327
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4&#39;,H4&#39;1,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C4&#39;,NHE
reference to chem comp atom: H4&#39;1,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C4'
chem comp bond.atom id 2: H4'1
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 328
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4&#39;,H4&#39;2,NHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C4&#39;,NHE
reference to chem comp atom: H4&#39;2,NHE
reference to chem comp: NHE
chem comp bond.atom id 1: C4'
chem comp bond.atom id 2: H4'2
chem comp bond.comp id: NHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 329
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,PHE
reference to chem comp atom: CA,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 330
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,PHE
reference to chem comp atom: H,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 331
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,PHE
reference to chem comp atom: H2,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 332
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,PHE
reference to chem comp atom: C,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 333
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,PHE
reference to chem comp atom: CB,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 334
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,PHE
reference to chem comp atom: HA,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 335
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,PHE
reference to chem comp atom: O,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 336
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,PHE
reference to chem comp atom: OXT,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 337
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,PHE
reference to chem comp atom: CG,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 338
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,PHE
reference to chem comp atom: HB2,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 339
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,PHE
reference to chem comp atom: HB3,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 340
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD1,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,PHE
reference to chem comp atom: CD1,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD1
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 341
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CG,CD2,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,PHE
reference to chem comp atom: CD2,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD2
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 342
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,CE1,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD1,PHE
reference to chem comp atom: CE1,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: CE1
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 343
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD1,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD1,PHE
reference to chem comp atom: HD1,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD1
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 344
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD2,CE2,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD2,PHE
reference to chem comp atom: CE2,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: CE2
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 345
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CD2,HD2,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD2,PHE
reference to chem comp atom: HD2,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: HD2
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 346
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE1,CZ,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE1,PHE
reference to chem comp atom: CZ,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CE1
chem comp bond.atom id 2: CZ
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 347
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CE1,HE1,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE1,PHE
reference to chem comp atom: HE1,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CE1
chem comp bond.atom id 2: HE1
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 348
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE2,CZ,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE2,PHE
reference to chem comp atom: CZ,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CE2
chem comp bond.atom id 2: CZ
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 349
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE2,HE2,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE2,PHE
reference to chem comp atom: HE2,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CE2
chem comp bond.atom id 2: HE2
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 350
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CZ,HZ,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CZ,PHE
reference to chem comp atom: HZ,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CZ
chem comp bond.atom id 2: HZ
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 351
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,PHE
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,PHE
reference to chem comp atom: HXT,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 352
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,PRO
reference to chem comp atom: CA,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 353
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CD,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,PRO
reference to chem comp atom: CD,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CD
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 354
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,PRO
reference to chem comp atom: H,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 355
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,PRO
reference to chem comp atom: C,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 356
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,PRO
reference to chem comp atom: CB,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 357
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,PRO
reference to chem comp atom: HA,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 358
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,PRO
reference to chem comp atom: O,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 359
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,PRO
reference to chem comp atom: OXT,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 360
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,PRO
reference to chem comp atom: CG,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 361
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,PRO
reference to chem comp atom: HB2,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 362
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,PRO
reference to chem comp atom: HB3,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 363
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,PRO
reference to chem comp atom: CD,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 364
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG2,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,PRO
reference to chem comp atom: HG2,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 365
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG3,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,PRO
reference to chem comp atom: HG3,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 366
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD,HD2,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD,PRO
reference to chem comp atom: HD2,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: HD2
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 367
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD,HD3,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD,PRO
reference to chem comp atom: HD3,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: HD3
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 368
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,PRO
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,PRO
reference to chem comp atom: HXT,PRO
reference to chem comp: PRO
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: PRO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 369
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,SER
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,SER
reference to chem comp atom: CA,SER
reference to chem comp: SER
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 370
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,SER
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,SER
reference to chem comp atom: H,SER
reference to chem comp: SER
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 371
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,SER
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,SER
reference to chem comp atom: H2,SER
reference to chem comp: SER
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 372
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,SER
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,SER
reference to chem comp atom: C,SER
reference to chem comp: SER
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 373
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,SER
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,SER
reference to chem comp atom: CB,SER
reference to chem comp: SER
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 374
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,SER
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,SER
reference to chem comp atom: HA,SER
reference to chem comp: SER
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 375
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,SER
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,SER
reference to chem comp atom: O,SER
reference to chem comp: SER
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 376
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,SER
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,SER
reference to chem comp atom: OXT,SER
reference to chem comp: SER
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 377
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,OG,SER
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,SER
reference to chem comp atom: OG,SER
reference to chem comp: SER
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: OG
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 378
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,SER
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,SER
reference to chem comp atom: HB2,SER
reference to chem comp: SER
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 379
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,SER
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,SER
reference to chem comp atom: HB3,SER
reference to chem comp: SER
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 380
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OG,HG,SER
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OG,SER
reference to chem comp atom: HG,SER
reference to chem comp: SER
chem comp bond.atom id 1: OG
chem comp bond.atom id 2: HG
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 381
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,SER
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,SER
reference to chem comp atom: HXT,SER
reference to chem comp: SER
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 382
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

S,O1,SO4
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: S,SO4
reference to chem comp atom: O1,SO4
reference to chem comp: SO4
chem comp bond.atom id 1: S
chem comp bond.atom id 2: O1
chem comp bond.comp id: SO4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 383
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

S,O2,SO4
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: S,SO4
reference to chem comp atom: O2,SO4
reference to chem comp: SO4
chem comp bond.atom id 1: S
chem comp bond.atom id 2: O2
chem comp bond.comp id: SO4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 384
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

S,O3,SO4
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: S,SO4
reference to chem comp atom: O3,SO4
reference to chem comp: SO4
chem comp bond.atom id 1: S
chem comp bond.atom id 2: O3
chem comp bond.comp id: SO4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 385
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

S,O4,SO4
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: S,SO4
reference to chem comp atom: O4,SO4
reference to chem comp: SO4
chem comp bond.atom id 1: S
chem comp bond.atom id 2: O4
chem comp bond.comp id: SO4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 386
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,THR
reference to chem comp atom: CA,THR
reference to chem comp: THR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 387
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,THR
reference to chem comp atom: H,THR
reference to chem comp: THR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 388
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,THR
reference to chem comp atom: H2,THR
reference to chem comp: THR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 389
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,THR
reference to chem comp atom: C,THR
reference to chem comp: THR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 390
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,THR
reference to chem comp atom: CB,THR
reference to chem comp: THR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 391
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,THR
reference to chem comp atom: HA,THR
reference to chem comp: THR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 392
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,THR
reference to chem comp atom: O,THR
reference to chem comp: THR
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 393
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,THR
reference to chem comp atom: OXT,THR
reference to chem comp: THR
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 394
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,OG1,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,THR
reference to chem comp atom: OG1,THR
reference to chem comp: THR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: OG1
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 395
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG2,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,THR
reference to chem comp atom: CG2,THR
reference to chem comp: THR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG2
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 396
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,THR
reference to chem comp atom: HB,THR
reference to chem comp: THR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 397
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OG1,HG1,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OG1,THR
reference to chem comp atom: HG1,THR
reference to chem comp: THR
chem comp bond.atom id 1: OG1
chem comp bond.atom id 2: HG1
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 398
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG21,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG2,THR
reference to chem comp atom: HG21,THR
reference to chem comp: THR
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG21
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 399
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG22,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG2,THR
reference to chem comp atom: HG22,THR
reference to chem comp: THR
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG22
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 400
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG23,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG2,THR
reference to chem comp atom: HG23,THR
reference to chem comp: THR
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG23
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 401
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,THR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,THR
reference to chem comp atom: HXT,THR
reference to chem comp: THR
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 402
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,TRP
reference to chem comp atom: CA,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 403
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,TRP
reference to chem comp atom: H,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 404
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,TRP
reference to chem comp atom: H2,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 405
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,TRP
reference to chem comp atom: C,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 406
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,TRP
reference to chem comp atom: CB,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 407
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,TRP
reference to chem comp atom: HA,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 408
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,TRP
reference to chem comp atom: O,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 409
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,TRP
reference to chem comp atom: OXT,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 410
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,TRP
reference to chem comp atom: CG,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 411
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,TRP
reference to chem comp atom: HB2,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 412
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,TRP
reference to chem comp atom: HB3,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 413
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD1,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,TRP
reference to chem comp atom: CD1,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD1
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 414
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CG,CD2,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,TRP
reference to chem comp atom: CD2,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD2
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 415
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,NE1,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD1,TRP
reference to chem comp atom: NE1,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: NE1
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 416
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD1,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD1,TRP
reference to chem comp atom: HD1,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD1
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 417
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD2,CE2,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD2,TRP
reference to chem comp atom: CE2,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: CE2
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 418
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CD2,CE3,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD2,TRP
reference to chem comp atom: CE3,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: CE3
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 419
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NE1,CE2,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: NE1,TRP
reference to chem comp atom: CE2,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: NE1
chem comp bond.atom id 2: CE2
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 420
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NE1,HE1,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: NE1,TRP
reference to chem comp atom: HE1,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: NE1
chem comp bond.atom id 2: HE1
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 421
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE2,CZ2,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE2,TRP
reference to chem comp atom: CZ2,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CE2
chem comp bond.atom id 2: CZ2
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 422
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE3,CZ3,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE3,TRP
reference to chem comp atom: CZ3,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CE3
chem comp bond.atom id 2: CZ3
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 423
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CE3,HE3,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE3,TRP
reference to chem comp atom: HE3,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CE3
chem comp bond.atom id 2: HE3
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 424
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CZ2,CH2,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CZ2,TRP
reference to chem comp atom: CH2,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CZ2
chem comp bond.atom id 2: CH2
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 425
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CZ2,HZ2,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CZ2,TRP
reference to chem comp atom: HZ2,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CZ2
chem comp bond.atom id 2: HZ2
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 426
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CZ3,CH2,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CZ3,TRP
reference to chem comp atom: CH2,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CZ3
chem comp bond.atom id 2: CH2
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 427
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CZ3,HZ3,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CZ3,TRP
reference to chem comp atom: HZ3,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CZ3
chem comp bond.atom id 2: HZ3
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 428
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CH2,HH2,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CH2,TRP
reference to chem comp atom: HH2,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: CH2
chem comp bond.atom id 2: HH2
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 429
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,TRP
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,TRP
reference to chem comp atom: HXT,TRP
reference to chem comp: TRP
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: TRP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 430
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,TYR
reference to chem comp atom: CA,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 431
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,TYR
reference to chem comp atom: H,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 432
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,TYR
reference to chem comp atom: H2,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 433
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,TYR
reference to chem comp atom: C,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 434
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,TYR
reference to chem comp atom: CB,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 435
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,TYR
reference to chem comp atom: HA,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 436
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,TYR
reference to chem comp atom: O,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 437
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,TYR
reference to chem comp atom: OXT,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 438
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,TYR
reference to chem comp atom: CG,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 439
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,TYR
reference to chem comp atom: HB2,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 440
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,TYR
reference to chem comp atom: HB3,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 441
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD1,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,TYR
reference to chem comp atom: CD1,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD1
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 442
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CG,CD2,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG,TYR
reference to chem comp atom: CD2,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD2
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 443
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,CE1,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD1,TYR
reference to chem comp atom: CE1,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: CE1
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 444
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD1,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD1,TYR
reference to chem comp atom: HD1,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD1
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 445
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD2,CE2,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD2,TYR
reference to chem comp atom: CE2,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: CE2
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 446
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CD2,HD2,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CD2,TYR
reference to chem comp atom: HD2,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: HD2
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 447
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE1,CZ,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE1,TYR
reference to chem comp atom: CZ,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CE1
chem comp bond.atom id 2: CZ
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 448
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CE1,HE1,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE1,TYR
reference to chem comp atom: HE1,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CE1
chem comp bond.atom id 2: HE1
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 449
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE2,CZ,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE2,TYR
reference to chem comp atom: CZ,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CE2
chem comp bond.atom id 2: CZ
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 450
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE2,HE2,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CE2,TYR
reference to chem comp atom: HE2,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CE2
chem comp bond.atom id 2: HE2
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 451
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CZ,OH,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CZ,TYR
reference to chem comp atom: OH,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CZ
chem comp bond.atom id 2: OH
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 452
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OH,HH,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OH,TYR
reference to chem comp atom: HH,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: OH
chem comp bond.atom id 2: HH
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 453
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,TYR
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,TYR
reference to chem comp atom: HXT,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 454
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,VAL
reference to chem comp atom: CA,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 455
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,VAL
reference to chem comp atom: H,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 456
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: N,VAL
reference to chem comp atom: H2,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 457
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,VAL
reference to chem comp atom: C,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 458
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,VAL
reference to chem comp atom: CB,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 459
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CA,VAL
reference to chem comp atom: HA,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 460
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,VAL
reference to chem comp atom: O,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 461
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: C,VAL
reference to chem comp atom: OXT,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 462
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG1,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,VAL
reference to chem comp atom: CG1,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG1
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 463
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG2,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,VAL
reference to chem comp atom: CG2,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG2
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 464
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CB,VAL
reference to chem comp atom: HB,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 465
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG1,HG11,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG1,VAL
reference to chem comp atom: HG11,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: CG1
chem comp bond.atom id 2: HG11
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 466
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG1,HG12,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG1,VAL
reference to chem comp atom: HG12,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: CG1
chem comp bond.atom id 2: HG12
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 467
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG1,HG13,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG1,VAL
reference to chem comp atom: HG13,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: CG1
chem comp bond.atom id 2: HG13
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 468
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG21,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG2,VAL
reference to chem comp atom: HG21,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG21
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 469
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG22,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG2,VAL
reference to chem comp atom: HG22,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG22
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 470
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG23,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: CG2,VAL
reference to chem comp atom: HG23,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG23
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 471
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,VAL
type: chem comp bond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp atom: OXT,VAL
reference to chem comp atom: HXT,VAL
reference to chem comp: VAL
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: VAL
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 472
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

primary
type: citation
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
citation.id: primary
citation.journal abbrev: To be published
citation.journal id CSD: 0353
citation.title: Crystal Structure of a COMT complex
referenced by citation author: primary,Rudolph, M.G.,2
referenced by citation author: primary,Lerner, C.,1

primary,Lerner, C.,1
type: citation author
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to citation: primary
citation author.citation id: primary
citation author.name: Lerner, C.
citation author.ordinal: 1

primary,Rudolph, M.G.,2
type: citation author
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to citation: primary
citation author.citation id: primary
citation author.name: Rudolph, M.G.
citation author.ordinal: 2

5P94,PDB
type: database 2
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
database 2.database code: 5P94
database 2.database id: PDB
database 2.pdbx DOI: 10.2210/pdb5p94/pdb
database 2.pdbx database accession: pdb_00005p94

D 1001400373,WWPDB
type: database 2
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
database 2.database code: D_1001400373
database 2.database id: WWPDB

http://rdf.wwpdb.org/pdb/5P94/diffrn/1
type: diffrn
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to exptl crystal: http://rdf.wwpdb.org/pdb/5P94/exptl_crystal/1
diffrn.id: 1
diffrn.ambient temp: 100
diffrn.crystal id: 1
referenced by diffrn detector: http://rdf.wwpdb.org/pdb/5P94/diffrn_detector/1
referenced by diffrn radiation: http://rdf.wwpdb.org/pdb/5P94/diffrn_radiation/1
referenced by diffrn source: http://rdf.wwpdb.org/pdb/5P94/diffrn_source/1

http://rdf.wwpdb.org/pdb/5P94/exptl_crystal/1
referenced by diffrn: http://rdf.wwpdb.org/pdb/5P94/diffrn/1
type: exptl crystal
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
exptl crystal.id: 1
exptl crystal.density matthews: 2.21
exptl crystal.density percent sol: 44.41
referenced by exptl crystal grow: http://rdf.wwpdb.org/pdb/5P94/exptl_crystal_grow/1

http://rdf.wwpdb.org/pdb/5P94/diffrn_detector/1
type: diffrn detector
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to diffrn: http://rdf.wwpdb.org/pdb/5P94/diffrn/1
diffrn detector.diffrn id: 1
diffrn detector.detector: CCD
diffrn detector.pdbx collection date: 2009-11-20
diffrn detector.type: MARMOSAIC 225 mm CCD

http://rdf.wwpdb.org/pdb/5P94/diffrn_radiation/1
type: diffrn radiation
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to diffrn: http://rdf.wwpdb.org/pdb/5P94/diffrn/1
diffrn radiation.diffrn id: 1
diffrn radiation.pdbx diffrn protocol: SINGLE WAVELENGTH
diffrn radiation.pdbx monochromatic or laue m l: M
diffrn radiation.pdbx scattering type: x-ray
diffrn radiation.wavelength id: 1

http://rdf.wwpdb.org/pdb/5P94/diffrn_radiation_wavelength/1
type: diffrn radiation wavelength
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
diffrn radiation wavelength.id: 1
diffrn radiation wavelength.wavelength: 0.9999
diffrn radiation wavelength.wt: 1

http://rdf.wwpdb.org/pdb/5P94/diffrn_source/1
type: diffrn source
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to diffrn: http://rdf.wwpdb.org/pdb/5P94/diffrn/1
diffrn source.diffrn id: 1
diffrn source.pdbx synchrotron beamline: X10SA
diffrn source.pdbx synchrotron site: SLS
diffrn source.pdbx wavelength list: 0.999900
diffrn source.source: SYNCHROTRON
diffrn source.type: SLS BEAMLINE X10SA

http://rdf.wwpdb.org/pdb/5P94/entity/1
type: entity
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
entity.id: 1
entity.formula weight: 24694.332
entity.pdbx description: Catechol O-methyltransferase
entity.pdbx ec: 2.1.1.6
entity.pdbx fragment: SOLUBLE FORM (UNP RESIDUES 44-264)
entity.pdbx mutation: M91I, Y95C
entity.pdbx number of molecules: 1
entity.src method: man
entity.type: polymer
link to enzyme: enzyme:2.1.1.6
referenced by entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
referenced by struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
referenced by struct ref: http://rdf.wwpdb.org/pdb/5P94/struct_ref/1
referenced by entity src gen: 1,1

ec-code:2.1.1.6

http://rdf.wwpdb.org/pdb/5P94/entity/2
type: entity
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
entity.id: 2
entity.formula weight: 24.305
entity.pdbx description: MAGNESIUM ION
entity.pdbx number of molecules: 1
entity.src method: syn
entity.type: non-polymer
referenced by struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/B
referenced by pdbx entity nonpoly: http://rdf.wwpdb.org/pdb/5P94/pdbx_entity_nonpoly/2

http://rdf.wwpdb.org/pdb/5P94/entity/3
type: entity
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
entity.id: 3
entity.formula weight: 35.453
entity.pdbx description: CHLORIDE ION
entity.pdbx number of molecules: 2
entity.src method: syn
entity.type: non-polymer
referenced by struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/D
referenced by pdbx entity nonpoly: http://rdf.wwpdb.org/pdb/5P94/pdbx_entity_nonpoly/3
referenced by struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/C

http://rdf.wwpdb.org/pdb/5P94/entity/4
type: entity
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
entity.id: 4
entity.formula weight: 207.29
entity.pdbx description: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
entity.pdbx number of molecules: 1
entity.src method: syn
entity.type: non-polymer
referenced by struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/E
referenced by pdbx entity nonpoly: http://rdf.wwpdb.org/pdb/5P94/pdbx_entity_nonpoly/4

http://rdf.wwpdb.org/pdb/5P94/entity/5
type: entity
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
entity.id: 5
entity.formula weight: 96.063
entity.pdbx description: SULFATE ION
entity.pdbx number of molecules: 2
entity.src method: syn
entity.type: non-polymer
referenced by struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/H
referenced by pdbx entity nonpoly: http://rdf.wwpdb.org/pdb/5P94/pdbx_entity_nonpoly/5
referenced by struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/F

http://rdf.wwpdb.org/pdb/5P94/entity/6
type: entity
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
entity.id: 6
entity.formula weight: 482.506
entity.pdbx description: 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide
entity.pdbx number of molecules: 1
entity.src method: syn
entity.type: non-polymer
referenced by struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/G
referenced by pdbx entity nonpoly: http://rdf.wwpdb.org/pdb/5P94/pdbx_entity_nonpoly/6

http://rdf.wwpdb.org/pdb/5P94/entity/7
type: entity
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
entity.id: 7
entity.formula weight: 18.015
entity.pdbx description: water
entity.pdbx number of molecules: 265
entity.src method: nat
entity.type: water
referenced by struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/I
referenced by pdbx entity nonpoly: http://rdf.wwpdb.org/pdb/5P94/pdbx_entity_nonpoly/7

http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
type: entity poly
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/1
entity poly.entity id: 1
entity poly.nstd linkage: no
entity poly.nstd monomer: no
entity poly.pdbx seq one letter code: MGDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLL QPGARLLTMEINPDCAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLL RKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGPSSPDKS
entity poly.pdbx seq one letter code can: MGDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLL QPGARLLTMEINPDCAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLL RKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGPSSPDKS
entity poly.pdbx strand id: A
entity poly.type: polypeptide(L)
referenced by entity poly seq: 1,SER,221
referenced by entity poly seq: 1,MET,1
referenced by entity poly seq: 1,GLY,2
referenced by entity poly seq: 1,ASP,3
referenced by entity poly seq: 1,THR,4
referenced by entity poly seq: 1,LYS,5
referenced by entity poly seq: 1,GLU,6
referenced by entity poly seq: 1,GLN,7
referenced by entity poly seq: 1,ARG,8
referenced by entity poly seq: 1,ILE,9
referenced by entity poly seq: 1,LEU,10
referenced by entity poly seq: 1,ARG,11
referenced by entity poly seq: 1,TYR,12
referenced by entity poly seq: 1,VAL,13
referenced by entity poly seq: 1,GLN,14
referenced by entity poly seq: 1,GLN,15
referenced by entity poly seq: 1,ASN,16
referenced by entity poly seq: 1,ALA,17
referenced by entity poly seq: 1,LYS,18
referenced by entity poly seq: 1,PRO,19
referenced by entity poly seq: 1,GLY,20
referenced by entity poly seq: 1,ASP,21
referenced by entity poly seq: 1,PRO,22
referenced by entity poly seq: 1,GLN,23
referenced by entity poly seq: 1,SER,24
referenced by entity poly seq: 1,VAL,25
referenced by entity poly seq: 1,LEU,26
referenced by entity poly seq: 1,GLU,27
referenced by entity poly seq: 1,ALA,28
referenced by entity poly seq: 1,ILE,29
referenced by entity poly seq: 1,ASP,30
referenced by entity poly seq: 1,THR,31
referenced by entity poly seq: 1,TYR,32
referenced by entity poly seq: 1,CYS,33
referenced by entity poly seq: 1,THR,34
referenced by entity poly seq: 1,GLN,35
referenced by entity poly seq: 1,LYS,36
referenced by entity poly seq: 1,GLU,37
referenced by entity poly seq: 1,TRP,38
referenced by entity poly seq: 1,ALA,39
referenced by entity poly seq: 1,MET,40
referenced by entity poly seq: 1,ASN,41
referenced by entity poly seq: 1,VAL,42
referenced by entity poly seq: 1,GLY,43
referenced by entity poly seq: 1,ASP,44
referenced by entity poly seq: 1,ALA,45
referenced by entity poly seq: 1,LYS,46
referenced by entity poly seq: 1,GLY,47
referenced by entity poly seq: 1,GLN,48
referenced by entity poly seq: 1,ILE,49
referenced by entity poly seq: 1,MET,50
referenced by entity poly seq: 1,ASP,51
referenced by entity poly seq: 1,ALA,52
referenced by entity poly seq: 1,VAL,53
referenced by entity poly seq: 1,ILE,54
referenced by entity poly seq: 1,ARG,55
referenced by entity poly seq: 1,GLU,56
referenced by entity poly seq: 1,TYR,57
referenced by entity poly seq: 1,SER,58
referenced by entity poly seq: 1,PRO,59
referenced by entity poly seq: 1,SER,60
referenced by entity poly seq: 1,LEU,61
referenced by entity poly seq: 1,VAL,62
referenced by entity poly seq: 1,LEU,63
referenced by entity poly seq: 1,GLU,64
referenced by entity poly seq: 1,LEU,65
referenced by entity poly seq: 1,GLY,66
referenced by entity poly seq: 1,ALA,67
referenced by entity poly seq: 1,TYR,68
referenced by entity poly seq: 1,CYS,69

1,MET,1
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: MET
entity poly seq.num: 1
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,MET,1

1,GLY,2
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 2
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,2

1,ASP,3
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 3
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,3

1,THR,4
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 4
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,4

1,LYS,5
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 5
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,5

1,GLU,6
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLU
entity poly seq.num: 6
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLU,6

1,GLN,7
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLN
entity poly seq.num: 7
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLN,7

1,ARG,8
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ARG
entity poly seq.num: 8
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ARG,8

1,ILE,9
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ILE
entity poly seq.num: 9
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ILE,9

1,LEU,10
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 10
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,10

1,ARG,11
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ARG
entity poly seq.num: 11
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ARG,11

1,TYR,12
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TYR
entity poly seq.num: 12
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TYR,12

1,VAL,13
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 13
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,13

1,GLN,14
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLN
entity poly seq.num: 14
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLN,14

1,GLN,15
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLN
entity poly seq.num: 15
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLN,15

1,ASN,16
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASN
entity poly seq.num: 16
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASN,16

1,ALA,17
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 17
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,17

1,LYS,18
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 18
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,18

1,PRO,19
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PRO
entity poly seq.num: 19
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PRO,19

1,GLY,20
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 20
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,20

1,ASP,21
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 21
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,21

1,PRO,22
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PRO
entity poly seq.num: 22
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PRO,22

1,GLN,23
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLN
entity poly seq.num: 23
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLN,23

1,SER,24
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 24
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,24

1,VAL,25
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 25
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,25

1,LEU,26
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 26
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,26

1,GLU,27
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLU
entity poly seq.num: 27
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLU,27

1,ALA,28
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 28
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,28

1,ILE,29
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ILE
entity poly seq.num: 29
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ILE,29

1,ASP,30
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 30
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,30

1,THR,31
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 31
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,31

1,TYR,32
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TYR
entity poly seq.num: 32
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TYR,32

1,CYS,33
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: CYS
entity poly seq.num: 33
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,CYS,33

1,THR,34
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 34
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,34

1,GLN,35
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLN
entity poly seq.num: 35
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLN,35

1,LYS,36
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 36
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,36

1,GLU,37
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLU
entity poly seq.num: 37
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLU,37

1,TRP,38
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TRP
entity poly seq.num: 38
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TRP,38

1,ALA,39
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 39
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,39

1,MET,40
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: MET
entity poly seq.num: 40
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,MET,40

1,ASN,41
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASN
entity poly seq.num: 41
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASN,41

1,VAL,42
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 42
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,42

1,GLY,43
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 43
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,43

1,ASP,44
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 44
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,44

1,ALA,45
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 45
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,45

1,LYS,46
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 46
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,46

1,GLY,47
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 47
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,47

1,GLN,48
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLN
entity poly seq.num: 48
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLN,48

1,ILE,49
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ILE
entity poly seq.num: 49
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ILE,49

1,MET,50
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: MET
entity poly seq.num: 50
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,MET,50

1,ASP,51
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 51
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,51

1,ALA,52
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 52
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,52

1,VAL,53
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 53
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,53

1,ILE,54
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ILE
entity poly seq.num: 54
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ILE,54

1,ARG,55
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ARG
entity poly seq.num: 55
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ARG,55

1,GLU,56
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLU
entity poly seq.num: 56
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLU,56

1,TYR,57
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TYR
entity poly seq.num: 57
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TYR,57

1,SER,58
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 58
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,58

1,PRO,59
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PRO
entity poly seq.num: 59
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PRO,59

1,SER,60
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 60
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,60

1,LEU,61
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 61
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,61

1,VAL,62
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 62
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,62

1,LEU,63
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 63
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,63

1,GLU,64
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLU
entity poly seq.num: 64
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLU,64

1,LEU,65
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 65
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,65

1,GLY,66
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 66
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,66

1,ALA,67
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 67
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,67

1,TYR,68
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TYR
entity poly seq.num: 68
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TYR,68

1,CYS,69
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: CYS
entity poly seq.num: 69
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,CYS,69

1,GLY,70
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 70
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,70

1,TYR,71
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TYR
entity poly seq.num: 71
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TYR,71

1,SER,72
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 72
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,72

1,ALA,73
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 73
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,73

1,VAL,74
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 74
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,74

1,ARG,75
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ARG
entity poly seq.num: 75
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ARG,75

1,MET,76
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: MET
entity poly seq.num: 76
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,MET,76

1,ALA,77
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 77
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,77

1,ARG,78
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ARG
entity poly seq.num: 78
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ARG,78

1,LEU,79
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 79
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,79

1,LEU,80
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 80
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,80

1,GLN,81
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLN
entity poly seq.num: 81
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLN,81

1,PRO,82
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PRO
entity poly seq.num: 82
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PRO,82

1,GLY,83
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 83
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,83

1,ALA,84
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 84
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,84

1,ARG,85
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ARG
entity poly seq.num: 85
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ARG,85

1,LEU,86
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 86
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,86

1,LEU,87
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 87
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,87

1,THR,88
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 88
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,88

1,MET,89
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: MET
entity poly seq.num: 89
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,MET,89

1,GLU,90
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLU
entity poly seq.num: 90
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLU,90

1,ILE,91
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ILE
entity poly seq.num: 91
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ILE,91

1,ASN,92
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASN
entity poly seq.num: 92
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASN,92

1,PRO,93
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PRO
entity poly seq.num: 93
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PRO,93

1,ASP,94
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 94
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,94

1,CYS,95
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: CYS
entity poly seq.num: 95
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,CYS,95

1,ALA,96
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 96
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,96

1,ALA,97
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 97
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,97

1,ILE,98
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ILE
entity poly seq.num: 98
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ILE,98

1,THR,99
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 99
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,99

1,GLN,100
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLN
entity poly seq.num: 100
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLN,100

1,GLN,101
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLN
entity poly seq.num: 101
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLN,101

1,MET,102
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: MET
entity poly seq.num: 102
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,MET,102

1,LEU,103
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 103
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,103

1,ASN,104
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASN
entity poly seq.num: 104
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASN,104

1,PHE,105
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PHE
entity poly seq.num: 105
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PHE,105

1,ALA,106
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 106
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,106

1,GLY,107
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 107
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,107

1,LEU,108
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 108
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,108

1,GLN,109
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLN
entity poly seq.num: 109
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLN,109

1,ASP,110
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 110
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,110

1,LYS,111
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 111
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,111

1,VAL,112
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 112
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,112

1,THR,113
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 113
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,113

1,ILE,114
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ILE
entity poly seq.num: 114
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ILE,114

1,LEU,115
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 115
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,115

1,ASN,116
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASN
entity poly seq.num: 116
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASN,116

1,GLY,117
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 117
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,117

1,ALA,118
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 118
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,118

1,SER,119
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 119
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,119

1,GLN,120
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLN
entity poly seq.num: 120
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLN,120

1,ASP,121
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 121
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,121

1,LEU,122
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 122
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,122

1,ILE,123
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ILE
entity poly seq.num: 123
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ILE,123

1,PRO,124
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PRO
entity poly seq.num: 124
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PRO,124

1,GLN,125
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLN
entity poly seq.num: 125
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLN,125

1,LEU,126
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 126
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,126

1,LYS,127
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 127
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,127

1,LYS,128
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 128
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,128

1,LYS,129
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 129
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,129

1,TYR,130
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TYR
entity poly seq.num: 130
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TYR,130

1,ASP,131
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 131
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,131

1,VAL,132
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 132
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,132

1,ASP,133
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 133
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,133

1,THR,134
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 134
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,134

1,LEU,135
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 135
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,135

1,ASP,136
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 136
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,136

1,MET,137
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: MET
entity poly seq.num: 137
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,MET,137

1,VAL,138
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 138
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,138

1,PHE,139
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PHE
entity poly seq.num: 139
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PHE,139

1,LEU,140
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 140
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,140

1,ASP,141
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 141
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,141

1,HIS,142
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: HIS
entity poly seq.num: 142
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,HIS,142

1,TRP,143
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TRP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TRP
entity poly seq.num: 143
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TRP,143

1,LYS,144
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 144
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,144

1,ASP,145
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 145
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,145

1,ARG,146
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ARG
entity poly seq.num: 146
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ARG,146

1,TYR,147
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TYR
entity poly seq.num: 147
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TYR,147

1,LEU,148
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 148
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,148

1,PRO,149
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PRO
entity poly seq.num: 149
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PRO,149

1,ASP,150
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 150
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,150

1,THR,151
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 151
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,151

1,LEU,152
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 152
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,152

1,LEU,153
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 153
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,153

1,LEU,154
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 154
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,154

1,GLU,155
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLU
entity poly seq.num: 155
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLU,155

1,LYS,156
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 156
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,156

1,CYS,157
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: CYS
entity poly seq.num: 157
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,CYS,157

1,GLY,158
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 158
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,158

1,LEU,159
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 159
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,159

1,LEU,160
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 160
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,160

1,ARG,161
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ARG
entity poly seq.num: 161
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ARG,161

1,LYS,162
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 162
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,162

1,GLY,163
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 163
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,163

1,THR,164
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 164
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,164

1,VAL,165
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 165
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,165

1,LEU,166
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 166
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,166

1,LEU,167
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 167
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,167

1,ALA,168
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 168
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,168

1,ASP,169
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 169
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,169

1,ASN,170
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASN
entity poly seq.num: 170
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASN,170

1,VAL,171
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 171
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,171

1,ILE,172
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ILE
entity poly seq.num: 172
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ILE,172

1,VAL,173
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 173
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,173

1,PRO,174
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PRO
entity poly seq.num: 174
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PRO,174

1,GLY,175
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 175
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,175

1,THR,176
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 176
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,176

1,PRO,177
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PRO
entity poly seq.num: 177
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PRO,177

1,ASP,178
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 178
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,178

1,PHE,179
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PHE
entity poly seq.num: 179
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PHE,179

1,LEU,180
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 180
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,180

1,ALA,181
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 181
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,181

1,TYR,182
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TYR
entity poly seq.num: 182
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TYR,182

1,VAL,183
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 183
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,183

1,ARG,184
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ARG
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ARG
entity poly seq.num: 184
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ARG,184

1,GLY,185
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 185
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,185

1,SER,186
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 186
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,186

1,SER,187
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 187
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,187

1,SER,188
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 188
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,188

1,PHE,189
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PHE
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PHE
entity poly seq.num: 189
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PHE,189

1,GLU,190
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLU
entity poly seq.num: 190
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLU,190

1,CYS,191
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: CYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: CYS
entity poly seq.num: 191
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,CYS,191

1,THR,192
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 192
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,192

1,HIS,193
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HIS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: HIS
entity poly seq.num: 193
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,HIS,193

1,TYR,194
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TYR
entity poly seq.num: 194
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TYR,194

1,SER,195
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 195
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,195

1,SER,196
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 196
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,196

1,TYR,197
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TYR
entity poly seq.num: 197
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TYR,197

1,LEU,198
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 198
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,198

1,GLU,199
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLU
entity poly seq.num: 199
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLU,199

1,TYR,200
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TYR
entity poly seq.num: 200
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TYR,200

1,MET,201
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: MET
entity poly seq.num: 201
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,MET,201

1,LYS,202
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 202
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,202

1,VAL,203
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 203
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,203

1,VAL,204
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 204
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,204

1,ASP,205
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 205
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,205

1,GLY,206
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 206
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,206

1,LEU,207
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 207
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,207

1,GLU,208
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLU
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLU
entity poly seq.num: 208
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLU,208

1,LYS,209
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 209
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,209

1,ALA,210
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 210
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,210

1,ILE,211
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ILE
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ILE
entity poly seq.num: 211
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ILE,211

1,TYR,212
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: TYR
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TYR
entity poly seq.num: 212
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TYR,212

1,GLN,213
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLN
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLN
entity poly seq.num: 213
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLN,213

1,GLY,214
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 214
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,214

1,PRO,215
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PRO
entity poly seq.num: 215
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PRO,215

1,SER,216
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 216
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,216

1,SER,217
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 217
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,217

1,PRO,218
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PRO
entity poly seq.num: 218
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PRO,218

1,ASP,219
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASP
entity poly seq.num: 219
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASP,219

1,LYS,220
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 220
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,220

1,SER,221
type: entity poly seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/5P94/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 221
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,221

1,1
type: entity src gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/1
entity src gen.entity id: 1
entity src gen.pdbx src id: 1
entity src gen.gene src common name: Rat
entity src gen.pdbx alt source flag: sample
entity src gen.pdbx beg seq num: 1
entity src gen.pdbx end seq num: 221
entity src gen.pdbx gene src gene: Comt
entity src gen.pdbx gene src ncbi taxonomy id: 10116
entity src gen.pdbx gene src scientific name: Rattus norvegicus
entity src gen.pdbx host org ncbi taxonomy id: 469008
entity src gen.pdbx host org scientific name: Escherichia coli
entity src gen.pdbx host org strain: BL21(DE3)
entity src gen.pdbx host org vector type: plasmid
entity src gen.pdbx seq type: Biological sequence
link to taxonomy source: taxonomy:10116
link to taxonomy host: taxonomy:469008

taxonomy:10116

taxonomy:469008

5P94,X-RAY DIFFRACTION
type: exptl
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entry: 5P94
exptl.entry id: 5P94
exptl.method: X-RAY DIFFRACTION
exptl.crystals number: 1

http://rdf.wwpdb.org/pdb/5P94/exptl_crystal_grow/1
type: exptl crystal grow
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to exptl crystal: http://rdf.wwpdb.org/pdb/5P94/exptl_crystal/1
exptl crystal grow.crystal id: 1
exptl crystal grow.method: VAPOR DIFFUSION, SITTING DROP
exptl crystal grow.p h: 9
exptl crystal grow.pdbx details: AMMONIUM SULPHATE, CHES, PH 9
exptl crystal grow.temp: 295

Structure model,1,2
type: pdbx audit revision category
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,2
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 1
pdbx audit revision category.revision ordinal: 2
pdbx audit revision category.category: pdbx_deposit_group

Structure model,2
referenced by pdbx audit revision category: Structure model,1,2
referenced by pdbx audit revision group: Structure model,1,2
type: pdbx audit revision history
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 2
pdbx audit revision history.major revision: 1
pdbx audit revision history.minor revision: 1
pdbx audit revision history.revision date: 2018-02-21
referenced by pdbx audit revision item: Structure model,1,2

Structure model,2,3
type: pdbx audit revision category
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 2
pdbx audit revision category.revision ordinal: 3
pdbx audit revision category.category: database_2

Structure model,3
referenced by pdbx audit revision category: Structure model,2,3
referenced by pdbx audit revision category: Structure model,3,3
referenced by pdbx audit revision category: Structure model,4,3
referenced by pdbx audit revision category: Structure model,5,3
referenced by pdbx audit revision group: Structure model,2,3
referenced by pdbx audit revision group: Structure model,3,3
referenced by pdbx audit revision group: Structure model,4,3
type: pdbx audit revision history
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 3
pdbx audit revision history.major revision: 1
pdbx audit revision history.minor revision: 2
pdbx audit revision history.revision date: 2021-11-17
referenced by pdbx audit revision item: Structure model,21,3
referenced by pdbx audit revision item: Structure model,2,3
referenced by pdbx audit revision item: Structure model,3,3
referenced by pdbx audit revision item: Structure model,4,3
referenced by pdbx audit revision item: Structure model,5,3
referenced by pdbx audit revision item: Structure model,6,3
referenced by pdbx audit revision item: Structure model,7,3
referenced by pdbx audit revision item: Structure model,8,3
referenced by pdbx audit revision item: Structure model,9,3
referenced by pdbx audit revision item: Structure model,10,3
referenced by pdbx audit revision item: Structure model,11,3
referenced by pdbx audit revision item: Structure model,12,3
referenced by pdbx audit revision item: Structure model,13,3
referenced by pdbx audit revision item: Structure model,14,3
referenced by pdbx audit revision item: Structure model,15,3
referenced by pdbx audit revision item: Structure model,16,3
referenced by pdbx audit revision item: Structure model,17,3
referenced by pdbx audit revision item: Structure model,18,3
referenced by pdbx audit revision item: Structure model,19,3
referenced by pdbx audit revision item: Structure model,20,3

Structure model,3,3
type: pdbx audit revision category
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 3
pdbx audit revision category.revision ordinal: 3
pdbx audit revision category.category: pdbx_deposit_group

Structure model,4,3
type: pdbx audit revision category
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 4
pdbx audit revision category.revision ordinal: 3
pdbx audit revision category.category: pdbx_struct_conn_angle

Structure model,5,3
type: pdbx audit revision category
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 5
pdbx audit revision category.revision ordinal: 3
pdbx audit revision category.category: struct_conn

Structure model,6,4
type: pdbx audit revision category
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,4
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 6
pdbx audit revision category.revision ordinal: 4
pdbx audit revision category.category: chem_comp_atom

Structure model,4
referenced by pdbx audit revision category: Structure model,6,4
referenced by pdbx audit revision category: Structure model,7,4
referenced by pdbx audit revision category: Structure model,8,4
referenced by pdbx audit revision group: Structure model,5,4
referenced by pdbx audit revision group: Structure model,6,4
type: pdbx audit revision history
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 4
pdbx audit revision history.major revision: 1
pdbx audit revision history.minor revision: 3
pdbx audit revision history.revision date: 2024-04-03

Structure model,7,4
type: pdbx audit revision category
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,4
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 7
pdbx audit revision category.revision ordinal: 4
pdbx audit revision category.category: chem_comp_bond

Structure model,8,4
type: pdbx audit revision category
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,4
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 8
pdbx audit revision category.revision ordinal: 4
pdbx audit revision category.category: pdbx_initial_refinement_model

Structure model,1,1
type: pdbx audit revision details
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,1
pdbx audit revision details.data content type: Structure model
pdbx audit revision details.ordinal: 1
pdbx audit revision details.revision ordinal: 1
pdbx audit revision details.provider: repository
pdbx audit revision details.type: Initial release

Structure model,1
referenced by pdbx audit revision details: Structure model,1,1
type: pdbx audit revision history
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 1
pdbx audit revision history.major revision: 1
pdbx audit revision history.minor revision: 0
pdbx audit revision history.revision date: 2017-08-30

Structure model,1,2
type: pdbx audit revision group
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,2
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 1
pdbx audit revision group.revision ordinal: 2
pdbx audit revision group.group: Structure summary

Structure model,2,3
type: pdbx audit revision group
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 2
pdbx audit revision group.revision ordinal: 3
pdbx audit revision group.group: Database references

Structure model,3,3
type: pdbx audit revision group
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 3
pdbx audit revision group.revision ordinal: 3
pdbx audit revision group.group: Derived calculations

Structure model,4,3
type: pdbx audit revision group
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 4
pdbx audit revision group.revision ordinal: 3
pdbx audit revision group.group: Structure summary

Structure model,5,4
type: pdbx audit revision group
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,4
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 5
pdbx audit revision group.revision ordinal: 4
pdbx audit revision group.group: Data collection

Structure model,6,4
type: pdbx audit revision group
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,4
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 6
pdbx audit revision group.revision ordinal: 4
pdbx audit revision group.group: Refinement description

Structure model,1,2
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,2
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 1
pdbx audit revision item.revision ordinal: 2
pdbx audit revision item.item: _pdbx_deposit_group.group_type

Structure model,2,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 2
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _database_2.pdbx_DOI

Structure model,3,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 3
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _database_2.pdbx_database_accession

Structure model,4,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 4
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _pdbx_deposit_group.group_description

Structure model,5,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 5
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _pdbx_struct_conn_angle.ptnr1_auth_comp_id

Structure model,6,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 6
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _pdbx_struct_conn_angle.ptnr1_auth_seq_id

Structure model,7,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 7
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _pdbx_struct_conn_angle.ptnr1_label_asym_id

Structure model,8,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 8
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _pdbx_struct_conn_angle.ptnr1_label_atom_id

Structure model,9,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 9
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _pdbx_struct_conn_angle.ptnr1_label_comp_id

Structure model,10,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 10
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _pdbx_struct_conn_angle.ptnr3_auth_comp_id

Structure model,11,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 11
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _pdbx_struct_conn_angle.ptnr3_auth_seq_id

Structure model,12,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 12
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _pdbx_struct_conn_angle.ptnr3_label_asym_id

Structure model,13,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 13
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _pdbx_struct_conn_angle.ptnr3_label_atom_id

Structure model,14,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 14
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _pdbx_struct_conn_angle.ptnr3_label_comp_id

Structure model,15,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 15
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _pdbx_struct_conn_angle.value

Structure model,16,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 16
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _struct_conn.pdbx_dist_value

Structure model,17,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 17
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _struct_conn.ptnr2_auth_comp_id

Structure model,18,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 18
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _struct_conn.ptnr2_auth_seq_id

Structure model,19,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 19
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _struct_conn.ptnr2_label_asym_id

Structure model,20,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 20
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _struct_conn.ptnr2_label_atom_id

Structure model,21,3
type: pdbx audit revision item
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 21
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _struct_conn.ptnr2_label_comp_id

5P94
type: pdbx database status
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entry: 5P94
pdbx database status.entry id: 5P94
pdbx database status.deposit site: RCSB
pdbx database status.pdb format compatible: Y
pdbx database status.process site: RCSB
pdbx database status.recvd initial deposition date: 2016-08-29
pdbx database status.status code: REL
pdbx database status.status code sf: REL

G_1002009
type: pdbx deposit group
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx deposit group.group id: G_1002009
pdbx deposit group.group description: Crystal Structure of COMT complex
pdbx deposit group.group title: Crystal Structure of COMT complex
pdbx deposit group.group type: undefined

http://rdf.wwpdb.org/pdb/5P94/pdbx_distant_solvent_atoms/1
type: pdbx distant solvent atoms
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HOH
pdbx distant solvent atoms.id: 1
pdbx distant solvent atoms.pdb model num: 1
pdbx distant solvent atoms.auth asym id: A
pdbx distant solvent atoms.auth atom id: O
pdbx distant solvent atoms.auth comp id: HOH
pdbx distant solvent atoms.auth seq id: 664
pdbx distant solvent atoms.neighbor macromolecule distance: 5.82

http://rdf.wwpdb.org/pdb/5P94/pdbx_distant_solvent_atoms/2
type: pdbx distant solvent atoms
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: HOH
pdbx distant solvent atoms.id: 2
pdbx distant solvent atoms.pdb model num: 1
pdbx distant solvent atoms.auth asym id: A
pdbx distant solvent atoms.auth atom id: O
pdbx distant solvent atoms.auth comp id: HOH
pdbx distant solvent atoms.auth seq id: 665
pdbx distant solvent atoms.neighbor macromolecule distance: 6.48

http://rdf.wwpdb.org/pdb/5P94/pdbx_entity_nonpoly/2
type: pdbx entity nonpoly
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/2
pdbx entity nonpoly.entity id: 2
pdbx entity nonpoly.comp id: MG
pdbx entity nonpoly.name: MAGNESIUM ION

http://rdf.wwpdb.org/pdb/5P94/pdbx_entity_nonpoly/3
type: pdbx entity nonpoly
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/3
pdbx entity nonpoly.entity id: 3
pdbx entity nonpoly.comp id: CL
pdbx entity nonpoly.name: CHLORIDE ION

http://rdf.wwpdb.org/pdb/5P94/pdbx_entity_nonpoly/4
type: pdbx entity nonpoly
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/4
pdbx entity nonpoly.entity id: 4
pdbx entity nonpoly.comp id: NHE
pdbx entity nonpoly.name: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID

http://rdf.wwpdb.org/pdb/5P94/pdbx_entity_nonpoly/5
type: pdbx entity nonpoly
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/5
pdbx entity nonpoly.entity id: 5
pdbx entity nonpoly.comp id: SO4
pdbx entity nonpoly.name: SULFATE ION

http://rdf.wwpdb.org/pdb/5P94/pdbx_entity_nonpoly/6
type: pdbx entity nonpoly
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/6
pdbx entity nonpoly.entity id: 6
pdbx entity nonpoly.comp id: 76T
pdbx entity nonpoly.name: 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide

http://rdf.wwpdb.org/pdb/5P94/pdbx_entity_nonpoly/7
type: pdbx entity nonpoly
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/7
pdbx entity nonpoly.entity id: 7
pdbx entity nonpoly.comp id: HOH
pdbx entity nonpoly.name: water

http://rdf.wwpdb.org/pdb/5P94/pdbx_initial_refinement_model/1
type: pdbx initial refinement model
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx initial refinement model.id: 1
pdbx initial refinement model.details: inhouse model
pdbx initial refinement model.type: other

B,1
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: MG
pdbx nonpoly scheme.auth seq num: 1
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: MG
pdbx nonpoly scheme.pdb mon id: MG
pdbx nonpoly scheme.pdb seq num: 301
pdbx nonpoly scheme.pdb strand id: A

C,1
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: C
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: CL
pdbx nonpoly scheme.auth seq num: 1
pdbx nonpoly scheme.entity id: 3
pdbx nonpoly scheme.mon id: CL
pdbx nonpoly scheme.pdb mon id: CL
pdbx nonpoly scheme.pdb seq num: 302
pdbx nonpoly scheme.pdb strand id: A

D,1
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: D
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: CL
pdbx nonpoly scheme.auth seq num: 2
pdbx nonpoly scheme.entity id: 3
pdbx nonpoly scheme.mon id: CL
pdbx nonpoly scheme.pdb mon id: CL
pdbx nonpoly scheme.pdb seq num: 303
pdbx nonpoly scheme.pdb strand id: A

E,1
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: E
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: BUF
pdbx nonpoly scheme.auth seq num: 1
pdbx nonpoly scheme.entity id: 4
pdbx nonpoly scheme.mon id: NHE
pdbx nonpoly scheme.pdb mon id: NHE
pdbx nonpoly scheme.pdb seq num: 304
pdbx nonpoly scheme.pdb strand id: A

F,1
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: F
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: SO4
pdbx nonpoly scheme.auth seq num: 1
pdbx nonpoly scheme.entity id: 5
pdbx nonpoly scheme.mon id: SO4
pdbx nonpoly scheme.pdb mon id: SO4
pdbx nonpoly scheme.pdb seq num: 305
pdbx nonpoly scheme.pdb strand id: A

G,1
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: G
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: LIG
pdbx nonpoly scheme.auth seq num: 1
pdbx nonpoly scheme.entity id: 6
pdbx nonpoly scheme.mon id: 76T
pdbx nonpoly scheme.pdb mon id: 76T
pdbx nonpoly scheme.pdb seq num: 306
pdbx nonpoly scheme.pdb strand id: A

H,1
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: H
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: SO4
pdbx nonpoly scheme.auth seq num: 1
pdbx nonpoly scheme.entity id: 5
pdbx nonpoly scheme.mon id: SO4
pdbx nonpoly scheme.pdb mon id: SO4
pdbx nonpoly scheme.pdb seq num: 307
pdbx nonpoly scheme.pdb strand id: A

I,1
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 49
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 401
pdbx nonpoly scheme.pdb strand id: A

I,2
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 2
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 102
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 402
pdbx nonpoly scheme.pdb strand id: A

I,3
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 3
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 208
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 403
pdbx nonpoly scheme.pdb strand id: A

I,4
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 4
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 126
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 404
pdbx nonpoly scheme.pdb strand id: A

I,5
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 5
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 99
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 405
pdbx nonpoly scheme.pdb strand id: A

I,6
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 6
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 207
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 406
pdbx nonpoly scheme.pdb strand id: A

I,7
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 7
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 255
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 407
pdbx nonpoly scheme.pdb strand id: A

I,8
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 8
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 249
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 408
pdbx nonpoly scheme.pdb strand id: A

I,9
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 9
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 32
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 409
pdbx nonpoly scheme.pdb strand id: A

I,10
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 10
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 236
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 410
pdbx nonpoly scheme.pdb strand id: A

I,11
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 11
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 160
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 411
pdbx nonpoly scheme.pdb strand id: A

I,12
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 12
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 59
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 412
pdbx nonpoly scheme.pdb strand id: A

I,13
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 13
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 34
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 413
pdbx nonpoly scheme.pdb strand id: A

I,14
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 14
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 13
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 414
pdbx nonpoly scheme.pdb strand id: A

I,15
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 15
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 221
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 415
pdbx nonpoly scheme.pdb strand id: A

I,16
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 16
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 224
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 416
pdbx nonpoly scheme.pdb strand id: A

I,17
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 17
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 152
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 417
pdbx nonpoly scheme.pdb strand id: A

I,18
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 18
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 56
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 418
pdbx nonpoly scheme.pdb strand id: A

I,19
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 19
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 19
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 419
pdbx nonpoly scheme.pdb strand id: A

I,20
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 20
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 61
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 420
pdbx nonpoly scheme.pdb strand id: A

I,21
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 21
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 115
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 421
pdbx nonpoly scheme.pdb strand id: A

I,22
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 22
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 246
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 422
pdbx nonpoly scheme.pdb strand id: A

I,23
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 23
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 124
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 423
pdbx nonpoly scheme.pdb strand id: A

I,24
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 24
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 248
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 424
pdbx nonpoly scheme.pdb strand id: A

I,25
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 25
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 198
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 425
pdbx nonpoly scheme.pdb strand id: A

I,26
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 26
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 178
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 426
pdbx nonpoly scheme.pdb strand id: A

I,27
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 27
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 217
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 427
pdbx nonpoly scheme.pdb strand id: A

I,28
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 28
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 63
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 428
pdbx nonpoly scheme.pdb strand id: A

I,29
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 29
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 214
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 429
pdbx nonpoly scheme.pdb strand id: A

I,30
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 30
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 77
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 430
pdbx nonpoly scheme.pdb strand id: A

I,31
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 31
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 105
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 431
pdbx nonpoly scheme.pdb strand id: A

I,32
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 32
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 46
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 432
pdbx nonpoly scheme.pdb strand id: A

I,33
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 33
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 14
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 433
pdbx nonpoly scheme.pdb strand id: A

I,34
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 34
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 112
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 434
pdbx nonpoly scheme.pdb strand id: A

I,35
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 35
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 26
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 435
pdbx nonpoly scheme.pdb strand id: A

I,36
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 36
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 80
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 436
pdbx nonpoly scheme.pdb strand id: A

I,37
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 37
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 31
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 437
pdbx nonpoly scheme.pdb strand id: A

I,38
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 38
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 43
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 438
pdbx nonpoly scheme.pdb strand id: A

I,39
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 39
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 156
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 439
pdbx nonpoly scheme.pdb strand id: A

I,40
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 40
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 125
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 440
pdbx nonpoly scheme.pdb strand id: A

I,41
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 41
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 220
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 441
pdbx nonpoly scheme.pdb strand id: A

I,42
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 42
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 170
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 442
pdbx nonpoly scheme.pdb strand id: A

I,43
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 43
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 9
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 443
pdbx nonpoly scheme.pdb strand id: A

I,44
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 44
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 94
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 444
pdbx nonpoly scheme.pdb strand id: A

I,45
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 45
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 157
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 445
pdbx nonpoly scheme.pdb strand id: A

I,46
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 46
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 25
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 446
pdbx nonpoly scheme.pdb strand id: A

I,47
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 47
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 85
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 447
pdbx nonpoly scheme.pdb strand id: A

I,48
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 48
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 225
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 448
pdbx nonpoly scheme.pdb strand id: A

I,49
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 49
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 212
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 449
pdbx nonpoly scheme.pdb strand id: A

I,50
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 50
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 8
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 450
pdbx nonpoly scheme.pdb strand id: A

I,51
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 51
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 57
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 451
pdbx nonpoly scheme.pdb strand id: A

I,52
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 52
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 177
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 452
pdbx nonpoly scheme.pdb strand id: A

I,53
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 53
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 79
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 453
pdbx nonpoly scheme.pdb strand id: A

I,54
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 54
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 75
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 454
pdbx nonpoly scheme.pdb strand id: A

I,55
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 55
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 21
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 455
pdbx nonpoly scheme.pdb strand id: A

I,56
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 56
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 259
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 456
pdbx nonpoly scheme.pdb strand id: A

I,57
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 57
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 158
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 457
pdbx nonpoly scheme.pdb strand id: A

I,58
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 58
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 3
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 458
pdbx nonpoly scheme.pdb strand id: A

I,59
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 59
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 176
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 459
pdbx nonpoly scheme.pdb strand id: A

I,60
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 60
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 193
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 460
pdbx nonpoly scheme.pdb strand id: A

I,61
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 61
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 163
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 461
pdbx nonpoly scheme.pdb strand id: A

I,62
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 62
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 104
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 462
pdbx nonpoly scheme.pdb strand id: A

I,63
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 63
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 54
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 463
pdbx nonpoly scheme.pdb strand id: A

I,64
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 64
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 36
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 464
pdbx nonpoly scheme.pdb strand id: A

I,65
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 65
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 147
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 465
pdbx nonpoly scheme.pdb strand id: A

I,66
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 66
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 27
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 466
pdbx nonpoly scheme.pdb strand id: A

I,67
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 67
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 7
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 467
pdbx nonpoly scheme.pdb strand id: A

I,68
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 68
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 69
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 468
pdbx nonpoly scheme.pdb strand id: A

I,69
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 69
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 60
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 469
pdbx nonpoly scheme.pdb strand id: A

I,70
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 70
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 28
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 470
pdbx nonpoly scheme.pdb strand id: A

I,71
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 71
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 55
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 471
pdbx nonpoly scheme.pdb strand id: A

I,72
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 72
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 65
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 472
pdbx nonpoly scheme.pdb strand id: A

I,73
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 73
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 245
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 473
pdbx nonpoly scheme.pdb strand id: A

I,74
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 74
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 254
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 474
pdbx nonpoly scheme.pdb strand id: A

I,75
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 75
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 205
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 475
pdbx nonpoly scheme.pdb strand id: A

I,76
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 76
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 5
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 476
pdbx nonpoly scheme.pdb strand id: A

I,77
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 77
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 91
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 477
pdbx nonpoly scheme.pdb strand id: A

I,78
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 78
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 121
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 478
pdbx nonpoly scheme.pdb strand id: A

I,79
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 79
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 203
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 479
pdbx nonpoly scheme.pdb strand id: A

I,80
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 80
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 161
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 480
pdbx nonpoly scheme.pdb strand id: A

I,81
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 81
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 211
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 481
pdbx nonpoly scheme.pdb strand id: A

I,82
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 82
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 22
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 482
pdbx nonpoly scheme.pdb strand id: A

I,83
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 83
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 18
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 483
pdbx nonpoly scheme.pdb strand id: A

I,84
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 84
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 118
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 484
pdbx nonpoly scheme.pdb strand id: A

I,85
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 85
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 159
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 485
pdbx nonpoly scheme.pdb strand id: A

I,86
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 86
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 23
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 486
pdbx nonpoly scheme.pdb strand id: A

I,87
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 87
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 42
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 487
pdbx nonpoly scheme.pdb strand id: A

I,88
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 88
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 15
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 488
pdbx nonpoly scheme.pdb strand id: A

I,89
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 89
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 67
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 489
pdbx nonpoly scheme.pdb strand id: A

I,90
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 90
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 116
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 490
pdbx nonpoly scheme.pdb strand id: A

I,91
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 91
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 175
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 491
pdbx nonpoly scheme.pdb strand id: A

I,92
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 92
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 10
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 492
pdbx nonpoly scheme.pdb strand id: A

I,93
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 93
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 2
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 493
pdbx nonpoly scheme.pdb strand id: A

I,94
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 94
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 148
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 494
pdbx nonpoly scheme.pdb strand id: A

I,95
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 95
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 6
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 495
pdbx nonpoly scheme.pdb strand id: A

I,96
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 96
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 164
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 496
pdbx nonpoly scheme.pdb strand id: A

I,97
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 97
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 183
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 497
pdbx nonpoly scheme.pdb strand id: A

I,98
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 98
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 62
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 498
pdbx nonpoly scheme.pdb strand id: A

I,99
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 99
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 71
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 499
pdbx nonpoly scheme.pdb strand id: A

I,100
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 100
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 51
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 500
pdbx nonpoly scheme.pdb strand id: A

I,101
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 101
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 16
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 501
pdbx nonpoly scheme.pdb strand id: A

I,102
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 102
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 155
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 502
pdbx nonpoly scheme.pdb strand id: A

I,103
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 103
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 92
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 503
pdbx nonpoly scheme.pdb strand id: A

I,104
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 104
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 234
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 504
pdbx nonpoly scheme.pdb strand id: A

I,105
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 105
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 33
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 505
pdbx nonpoly scheme.pdb strand id: A

I,106
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 106
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 210
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 506
pdbx nonpoly scheme.pdb strand id: A

I,107
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 107
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 137
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 507
pdbx nonpoly scheme.pdb strand id: A

I,108
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 108
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 171
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 508
pdbx nonpoly scheme.pdb strand id: A

I,109
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 109
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 237
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 509
pdbx nonpoly scheme.pdb strand id: A

I,110
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 110
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 145
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 510
pdbx nonpoly scheme.pdb strand id: A

I,111
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 111
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 38
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 511
pdbx nonpoly scheme.pdb strand id: A

I,112
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 112
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 181
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 512
pdbx nonpoly scheme.pdb strand id: A

I,113
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 113
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 200
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 513
pdbx nonpoly scheme.pdb strand id: A

I,114
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 114
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 83
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 514
pdbx nonpoly scheme.pdb strand id: A

I,115
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 115
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 189
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 515
pdbx nonpoly scheme.pdb strand id: A

I,116
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 116
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 223
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 516
pdbx nonpoly scheme.pdb strand id: A

I,117
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 117
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 87
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 517
pdbx nonpoly scheme.pdb strand id: A

I,118
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 118
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 179
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 518
pdbx nonpoly scheme.pdb strand id: A

I,119
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 119
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 93
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 519
pdbx nonpoly scheme.pdb strand id: A

I,120
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 120
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 154
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 520
pdbx nonpoly scheme.pdb strand id: A

I,121
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 121
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 72
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 521
pdbx nonpoly scheme.pdb strand id: A

I,122
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 122
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 37
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 522
pdbx nonpoly scheme.pdb strand id: A

I,123
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 123
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 166
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 523
pdbx nonpoly scheme.pdb strand id: A

I,124
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 124
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 127
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 524
pdbx nonpoly scheme.pdb strand id: A

I,125
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 125
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 196
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 525
pdbx nonpoly scheme.pdb strand id: A

I,126
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 126
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 64
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 526
pdbx nonpoly scheme.pdb strand id: A

I,127
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 127
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 243
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 527
pdbx nonpoly scheme.pdb strand id: A

I,128
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 128
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 48
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 528
pdbx nonpoly scheme.pdb strand id: A

I,129
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 129
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 263
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 529
pdbx nonpoly scheme.pdb strand id: A

I,130
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 130
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 209
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 530
pdbx nonpoly scheme.pdb strand id: A

I,131
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 131
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 111
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 531
pdbx nonpoly scheme.pdb strand id: A

I,132
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 132
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 29
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 532
pdbx nonpoly scheme.pdb strand id: A

I,133
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 133
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 86
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 533
pdbx nonpoly scheme.pdb strand id: A

I,134
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 134
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 12
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 534
pdbx nonpoly scheme.pdb strand id: A

I,135
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 135
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 44
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 535
pdbx nonpoly scheme.pdb strand id: A

I,136
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 136
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 233
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 536
pdbx nonpoly scheme.pdb strand id: A

I,137
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 137
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 52
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 537
pdbx nonpoly scheme.pdb strand id: A

I,138
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 138
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 113
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 538
pdbx nonpoly scheme.pdb strand id: A

I,139
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 139
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 40
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 539
pdbx nonpoly scheme.pdb strand id: A

I,140
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 140
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 73
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 540
pdbx nonpoly scheme.pdb strand id: A

I,141
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 141
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 204
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 541
pdbx nonpoly scheme.pdb strand id: A

I,142
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 142
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 30
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 542
pdbx nonpoly scheme.pdb strand id: A

I,143
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 143
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 96
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 543
pdbx nonpoly scheme.pdb strand id: A

I,144
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 144
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 88
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 544
pdbx nonpoly scheme.pdb strand id: A

I,145
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 145
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 109
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 545
pdbx nonpoly scheme.pdb strand id: A

I,146
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 146
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 226
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 546
pdbx nonpoly scheme.pdb strand id: A

I,147
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 147
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 76
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 547
pdbx nonpoly scheme.pdb strand id: A

I,148
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 148
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 47
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 548
pdbx nonpoly scheme.pdb strand id: A

I,149
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 149
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 162
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 549
pdbx nonpoly scheme.pdb strand id: A

I,150
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 150
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 35
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 550
pdbx nonpoly scheme.pdb strand id: A

I,151
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 151
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 103
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 551
pdbx nonpoly scheme.pdb strand id: A

I,152
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 152
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 100
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 552
pdbx nonpoly scheme.pdb strand id: A

I,153
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 153
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 97
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 553
pdbx nonpoly scheme.pdb strand id: A

I,154
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 154
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 20
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 554
pdbx nonpoly scheme.pdb strand id: A

I,155
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 155
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 261
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 555
pdbx nonpoly scheme.pdb strand id: A

I,156
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 156
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 222
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 556
pdbx nonpoly scheme.pdb strand id: A

I,157
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 157
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 219
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 557
pdbx nonpoly scheme.pdb strand id: A

I,158
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 158
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 123
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 558
pdbx nonpoly scheme.pdb strand id: A

I,159
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 159
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 143
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 559
pdbx nonpoly scheme.pdb strand id: A

I,160
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 160
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 90
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 560
pdbx nonpoly scheme.pdb strand id: A

I,161
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 161
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 165
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 561
pdbx nonpoly scheme.pdb strand id: A

I,162
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 162
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 58
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 562
pdbx nonpoly scheme.pdb strand id: A

I,163
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 163
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 41
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 563
pdbx nonpoly scheme.pdb strand id: A

I,164
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 164
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 122
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 564
pdbx nonpoly scheme.pdb strand id: A

I,165
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 165
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 95
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 565
pdbx nonpoly scheme.pdb strand id: A

I,166
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 166
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 89
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 566
pdbx nonpoly scheme.pdb strand id: A

I,167
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 167
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 202
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 567
pdbx nonpoly scheme.pdb strand id: A

I,168
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 168
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 108
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 568
pdbx nonpoly scheme.pdb strand id: A

I,169
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 169
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 11
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 569
pdbx nonpoly scheme.pdb strand id: A

I,170
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 170
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 230
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 570
pdbx nonpoly scheme.pdb strand id: A

I,171
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 171
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 84
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 571
pdbx nonpoly scheme.pdb strand id: A

I,172
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 172
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 168
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 572
pdbx nonpoly scheme.pdb strand id: A

I,173
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 173
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 24
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 573
pdbx nonpoly scheme.pdb strand id: A

I,174
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 174
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 256
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 574
pdbx nonpoly scheme.pdb strand id: A

I,175
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 175
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 174
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 575
pdbx nonpoly scheme.pdb strand id: A

I,176
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 176
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 258
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 576
pdbx nonpoly scheme.pdb strand id: A

I,177
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 177
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 4
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 577
pdbx nonpoly scheme.pdb strand id: A

I,178
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 178
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 117
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 578
pdbx nonpoly scheme.pdb strand id: A

I,179
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 179
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 216
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 579
pdbx nonpoly scheme.pdb strand id: A

I,180
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 180
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 66
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 580
pdbx nonpoly scheme.pdb strand id: A

I,181
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 181
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 119
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 581
pdbx nonpoly scheme.pdb strand id: A

I,182
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 182
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 142
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 582
pdbx nonpoly scheme.pdb strand id: A

I,183
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 183
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 45
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 583
pdbx nonpoly scheme.pdb strand id: A

I,184
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 184
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 151
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 584
pdbx nonpoly scheme.pdb strand id: A

I,185
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 185
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 262
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 585
pdbx nonpoly scheme.pdb strand id: A

I,186
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 186
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 120
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 586
pdbx nonpoly scheme.pdb strand id: A

I,187
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 187
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 132
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 587
pdbx nonpoly scheme.pdb strand id: A

I,188
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 188
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 39
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 588
pdbx nonpoly scheme.pdb strand id: A

I,189
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 189
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 50
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 589
pdbx nonpoly scheme.pdb strand id: A

I,190
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 190
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 215
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 590
pdbx nonpoly scheme.pdb strand id: A

I,191
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 191
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 201
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 591
pdbx nonpoly scheme.pdb strand id: A

I,192
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 192
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 232
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 592
pdbx nonpoly scheme.pdb strand id: A

I,193
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 193
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 187
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 593
pdbx nonpoly scheme.pdb strand id: A

I,194
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 194
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 167
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 594
pdbx nonpoly scheme.pdb strand id: A

I,195
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 195
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 131
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 595
pdbx nonpoly scheme.pdb strand id: A

I,196
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 196
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 82
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 596
pdbx nonpoly scheme.pdb strand id: A

I,197
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 197
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 140
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 597
pdbx nonpoly scheme.pdb strand id: A

I,198
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 198
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 146
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 598
pdbx nonpoly scheme.pdb strand id: A

I,199
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 199
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 98
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 599
pdbx nonpoly scheme.pdb strand id: A

I,200
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 200
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 107
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 600
pdbx nonpoly scheme.pdb strand id: A

I,201
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 201
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 244
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 601
pdbx nonpoly scheme.pdb strand id: A

I,202
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 202
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 247
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 602
pdbx nonpoly scheme.pdb strand id: A

I,203
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 203
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 114
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 603
pdbx nonpoly scheme.pdb strand id: A

I,204
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 204
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 218
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 604
pdbx nonpoly scheme.pdb strand id: A

I,205
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 205
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 180
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 605
pdbx nonpoly scheme.pdb strand id: A

I,206
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 206
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 139
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 606
pdbx nonpoly scheme.pdb strand id: A

I,207
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 207
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 70
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 607
pdbx nonpoly scheme.pdb strand id: A

I,208
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 208
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 135
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 608
pdbx nonpoly scheme.pdb strand id: A

I,209
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 209
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 185
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 609
pdbx nonpoly scheme.pdb strand id: A

I,210
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 210
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 228
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 610
pdbx nonpoly scheme.pdb strand id: A

I,211
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 211
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 149
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 611
pdbx nonpoly scheme.pdb strand id: A

I,212
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 212
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 257
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 612
pdbx nonpoly scheme.pdb strand id: A

I,213
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 213
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 252
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 613
pdbx nonpoly scheme.pdb strand id: A

I,214
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 214
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 130
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 614
pdbx nonpoly scheme.pdb strand id: A

I,215
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 215
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 74
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 615
pdbx nonpoly scheme.pdb strand id: A

I,216
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 216
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 192
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 616
pdbx nonpoly scheme.pdb strand id: A

I,217
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 217
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 169
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 617
pdbx nonpoly scheme.pdb strand id: A

I,218
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 218
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 141
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 618
pdbx nonpoly scheme.pdb strand id: A

I,219
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 219
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 182
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 619
pdbx nonpoly scheme.pdb strand id: A

I,220
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 220
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 68
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 620
pdbx nonpoly scheme.pdb strand id: A

I,221
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 221
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 53
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 621
pdbx nonpoly scheme.pdb strand id: A

I,222
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 222
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 153
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 622
pdbx nonpoly scheme.pdb strand id: A

I,223
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 223
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 144
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 623
pdbx nonpoly scheme.pdb strand id: A

I,224
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 224
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 101
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 624
pdbx nonpoly scheme.pdb strand id: A

I,225
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 225
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 195
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 625
pdbx nonpoly scheme.pdb strand id: A

I,226
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 226
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 133
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 626
pdbx nonpoly scheme.pdb strand id: A

I,227
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 227
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 186
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 627
pdbx nonpoly scheme.pdb strand id: A

I,228
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 228
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 136
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 628
pdbx nonpoly scheme.pdb strand id: A

I,229
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 229
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 238
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 629
pdbx nonpoly scheme.pdb strand id: A

I,230
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 230
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 250
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 630
pdbx nonpoly scheme.pdb strand id: A

I,231
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 231
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 242
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 631
pdbx nonpoly scheme.pdb strand id: A

I,232
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 232
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 199
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 632
pdbx nonpoly scheme.pdb strand id: A

I,233
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 233
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 150
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 633
pdbx nonpoly scheme.pdb strand id: A

I,234
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 234
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 173
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 634
pdbx nonpoly scheme.pdb strand id: A

I,235
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 235
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 253
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 635
pdbx nonpoly scheme.pdb strand id: A

I,236
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 236
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 213
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 636
pdbx nonpoly scheme.pdb strand id: A

I,237
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 237
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 172
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 637
pdbx nonpoly scheme.pdb strand id: A

I,238
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 238
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 206
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 638
pdbx nonpoly scheme.pdb strand id: A

I,239
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 239
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 184
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 639
pdbx nonpoly scheme.pdb strand id: A

I,240
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 240
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 229
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 640
pdbx nonpoly scheme.pdb strand id: A

I,241
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 241
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 190
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 641
pdbx nonpoly scheme.pdb strand id: A

I,242
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 242
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 106
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 642
pdbx nonpoly scheme.pdb strand id: A

I,243
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 243
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 265
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 643
pdbx nonpoly scheme.pdb strand id: A

I,244
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 244
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 129
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 644
pdbx nonpoly scheme.pdb strand id: A

I,245
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 245
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 240
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 645
pdbx nonpoly scheme.pdb strand id: A

I,246
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 246
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 134
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 646
pdbx nonpoly scheme.pdb strand id: A

I,247
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 247
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 128
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 647
pdbx nonpoly scheme.pdb strand id: A

I,248
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 248
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 227
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 648
pdbx nonpoly scheme.pdb strand id: A

I,249
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 249
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 260
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 649
pdbx nonpoly scheme.pdb strand id: A

I,250
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 250
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 78
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 650
pdbx nonpoly scheme.pdb strand id: A

I,251
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 251
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 231
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 651
pdbx nonpoly scheme.pdb strand id: A

I,252
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 252
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 264
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 652
pdbx nonpoly scheme.pdb strand id: A

I,253
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 253
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 17
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 653
pdbx nonpoly scheme.pdb strand id: A

I,254
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 254
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 110
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 654
pdbx nonpoly scheme.pdb strand id: A

I,255
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 255
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 197
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 655
pdbx nonpoly scheme.pdb strand id: A

I,256
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 256
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 194
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 656
pdbx nonpoly scheme.pdb strand id: A

I,257
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 257
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 241
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 657
pdbx nonpoly scheme.pdb strand id: A

I,258
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 258
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 188
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 658
pdbx nonpoly scheme.pdb strand id: A

I,259
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 259
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 235
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 659
pdbx nonpoly scheme.pdb strand id: A

I,260
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 260
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 1
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 660
pdbx nonpoly scheme.pdb strand id: A

I,261
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 261
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 191
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 661
pdbx nonpoly scheme.pdb strand id: A

I,262
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 262
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 138
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 662
pdbx nonpoly scheme.pdb strand id: A

I,263
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 263
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 239
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 663
pdbx nonpoly scheme.pdb strand id: A

I,264
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 264
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 81
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 664
pdbx nonpoly scheme.pdb strand id: A

I,265
type: pdbx nonpoly scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx nonpoly scheme.asym id: I
pdbx nonpoly scheme.ndb seq num: 265
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 251
pdbx nonpoly scheme.entity id: 7
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 665
pdbx nonpoly scheme.pdb strand id: A

A,1,MET,1
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,MET,1
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: MET
pdbx poly seq scheme.seq id: 1
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 1
pdbx poly seq scheme.pdb seq num: 1
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
referenced by pdbx poly seq scheme: A,1,MET,1
referenced by pdbx poly seq scheme: A,1,GLY,2
referenced by pdbx poly seq scheme: A,1,ASP,3
referenced by pdbx poly seq scheme: A,1,THR,4
referenced by pdbx poly seq scheme: A,1,LYS,5
referenced by pdbx poly seq scheme: A,1,GLU,6
referenced by pdbx poly seq scheme: A,1,GLN,7
referenced by pdbx poly seq scheme: A,1,ARG,8
referenced by pdbx poly seq scheme: A,1,ILE,9
referenced by pdbx poly seq scheme: A,1,LEU,10
referenced by pdbx poly seq scheme: A,1,ARG,11
referenced by pdbx poly seq scheme: A,1,TYR,12
referenced by pdbx poly seq scheme: A,1,VAL,13
referenced by pdbx poly seq scheme: A,1,GLN,14
referenced by pdbx poly seq scheme: A,1,GLN,15
referenced by pdbx poly seq scheme: A,1,ASN,16
referenced by pdbx poly seq scheme: A,1,ALA,17
referenced by pdbx poly seq scheme: A,1,LYS,18
referenced by pdbx poly seq scheme: A,1,PRO,19
referenced by pdbx poly seq scheme: A,1,GLY,20
referenced by pdbx poly seq scheme: A,1,ASP,21
referenced by pdbx poly seq scheme: A,1,PRO,22
referenced by pdbx poly seq scheme: A,1,GLN,23
referenced by pdbx poly seq scheme: A,1,SER,24
referenced by pdbx poly seq scheme: A,1,VAL,25
referenced by pdbx poly seq scheme: A,1,LEU,26
referenced by pdbx poly seq scheme: A,1,GLU,27
referenced by pdbx poly seq scheme: A,1,ALA,28
referenced by pdbx poly seq scheme: A,1,ILE,29
referenced by pdbx poly seq scheme: A,1,ASP,30
referenced by pdbx poly seq scheme: A,1,THR,31
referenced by pdbx poly seq scheme: A,1,TYR,32
referenced by pdbx poly seq scheme: A,1,CYS,33
referenced by pdbx poly seq scheme: A,1,THR,34
referenced by pdbx poly seq scheme: A,1,GLN,35
referenced by pdbx poly seq scheme: A,1,LYS,36
referenced by pdbx poly seq scheme: A,1,GLU,37
referenced by pdbx poly seq scheme: A,1,TRP,38
referenced by pdbx poly seq scheme: A,1,ALA,39
referenced by pdbx poly seq scheme: A,1,MET,40
referenced by pdbx poly seq scheme: A,1,ASN,41
referenced by pdbx poly seq scheme: A,1,VAL,42
referenced by pdbx poly seq scheme: A,1,GLY,43
referenced by pdbx poly seq scheme: A,1,ASP,44
referenced by pdbx poly seq scheme: A,1,ALA,45
referenced by pdbx poly seq scheme: A,1,LYS,46
referenced by pdbx poly seq scheme: A,1,GLY,47
referenced by pdbx poly seq scheme: A,1,GLN,48
referenced by pdbx poly seq scheme: A,1,ILE,49
referenced by pdbx poly seq scheme: A,1,MET,50
referenced by pdbx poly seq scheme: A,1,ASP,51
referenced by pdbx poly seq scheme: A,1,ALA,52
referenced by pdbx poly seq scheme: A,1,VAL,53
referenced by pdbx poly seq scheme: A,1,ILE,54
referenced by pdbx poly seq scheme: A,1,ARG,55
referenced by pdbx poly seq scheme: A,1,GLU,56
referenced by pdbx poly seq scheme: A,1,TYR,57
referenced by pdbx poly seq scheme: A,1,SER,58
referenced by pdbx poly seq scheme: A,1,PRO,59
referenced by pdbx poly seq scheme: A,1,SER,60
referenced by pdbx poly seq scheme: A,1,LEU,61
referenced by pdbx poly seq scheme: A,1,VAL,62
referenced by pdbx poly seq scheme: A,1,LEU,63
referenced by pdbx poly seq scheme: A,1,GLU,64
referenced by pdbx poly seq scheme: A,1,LEU,65
referenced by pdbx poly seq scheme: A,1,GLY,66
referenced by pdbx poly seq scheme: A,1,ALA,67
referenced by pdbx poly seq scheme: A,1,TYR,68
referenced by pdbx poly seq scheme: A,1,CYS,69
referenced by pdbx poly seq scheme: A,1,GLY,70
referenced by pdbx poly seq scheme: A,1,TYR,71
referenced by pdbx poly seq scheme: A,1,SER,72
referenced by pdbx poly seq scheme: A,1,ALA,73
referenced by pdbx poly seq scheme: A,1,VAL,74
referenced by pdbx poly seq scheme: A,1,ARG,75
referenced by pdbx poly seq scheme: A,1,MET,76
referenced by pdbx poly seq scheme: A,1,ALA,77
referenced by pdbx poly seq scheme: A,1,ARG,78
referenced by pdbx poly seq scheme: A,1,LEU,79
referenced by pdbx poly seq scheme: A,1,LEU,80

A,1,GLY,2
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLY,2
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 2
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 2
pdbx poly seq scheme.pdb seq num: 2
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,3
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,3
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 3
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 3
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 3
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 3
pdbx poly seq scheme.pdb strand id: A

A,1,THR,4
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,THR,4
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THR
pdbx poly seq scheme.seq id: 4
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 4
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 4
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 4
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,5
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LYS,5
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 5
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 5
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 5
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 5
pdbx poly seq scheme.pdb strand id: A

A,1,GLU,6
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLU,6
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLU
pdbx poly seq scheme.seq id: 6
pdbx poly seq scheme.auth mon id: GLU
pdbx poly seq scheme.auth seq num: 6
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 6
pdbx poly seq scheme.pdb mon id: GLU
pdbx poly seq scheme.pdb seq num: 6
pdbx poly seq scheme.pdb strand id: A

A,1,GLN,7
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLN,7
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLN
pdbx poly seq scheme.seq id: 7
pdbx poly seq scheme.auth mon id: GLN
pdbx poly seq scheme.auth seq num: 7
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 7
pdbx poly seq scheme.pdb mon id: GLN
pdbx poly seq scheme.pdb seq num: 7
pdbx poly seq scheme.pdb strand id: A

A,1,ARG,8
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ARG,8
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ARG
pdbx poly seq scheme.seq id: 8
pdbx poly seq scheme.auth mon id: ARG
pdbx poly seq scheme.auth seq num: 8
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 8
pdbx poly seq scheme.pdb mon id: ARG
pdbx poly seq scheme.pdb seq num: 8
pdbx poly seq scheme.pdb strand id: A

A,1,ILE,9
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ILE,9
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ILE
pdbx poly seq scheme.seq id: 9
pdbx poly seq scheme.auth mon id: ILE
pdbx poly seq scheme.auth seq num: 9
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 9
pdbx poly seq scheme.pdb mon id: ILE
pdbx poly seq scheme.pdb seq num: 9
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,10
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,10
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 10
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 10
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 10
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 10
pdbx poly seq scheme.pdb strand id: A

A,1,ARG,11
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ARG,11
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ARG
pdbx poly seq scheme.seq id: 11
pdbx poly seq scheme.auth mon id: ARG
pdbx poly seq scheme.auth seq num: 11
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 11
pdbx poly seq scheme.pdb mon id: ARG
pdbx poly seq scheme.pdb seq num: 11
pdbx poly seq scheme.pdb strand id: A

A,1,TYR,12
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,TYR,12
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TYR
pdbx poly seq scheme.seq id: 12
pdbx poly seq scheme.auth mon id: TYR
pdbx poly seq scheme.auth seq num: 12
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 12
pdbx poly seq scheme.pdb mon id: TYR
pdbx poly seq scheme.pdb seq num: 12
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,13
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,VAL,13
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 13
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 13
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 13
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 13
pdbx poly seq scheme.pdb strand id: A

A,1,GLN,14
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLN,14
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLN
pdbx poly seq scheme.seq id: 14
pdbx poly seq scheme.auth mon id: GLN
pdbx poly seq scheme.auth seq num: 14
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 14
pdbx poly seq scheme.pdb mon id: GLN
pdbx poly seq scheme.pdb seq num: 14
pdbx poly seq scheme.pdb strand id: A

A,1,GLN,15
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLN,15
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLN
pdbx poly seq scheme.seq id: 15
pdbx poly seq scheme.auth mon id: GLN
pdbx poly seq scheme.auth seq num: 15
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 15
pdbx poly seq scheme.pdb mon id: GLN
pdbx poly seq scheme.pdb seq num: 15
pdbx poly seq scheme.pdb strand id: A

A,1,ASN,16
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASN,16
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASN
pdbx poly seq scheme.seq id: 16
pdbx poly seq scheme.auth mon id: ASN
pdbx poly seq scheme.auth seq num: 16
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 16
pdbx poly seq scheme.pdb mon id: ASN
pdbx poly seq scheme.pdb seq num: 16
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,17
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,17
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 17
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 17
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 17
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 17
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,18
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LYS,18
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 18
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 18
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 18
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 18
pdbx poly seq scheme.pdb strand id: A

A,1,PRO,19
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,PRO,19
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PRO
pdbx poly seq scheme.seq id: 19
pdbx poly seq scheme.auth mon id: PRO
pdbx poly seq scheme.auth seq num: 19
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 19
pdbx poly seq scheme.pdb mon id: PRO
pdbx poly seq scheme.pdb seq num: 19
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,20
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLY,20
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 20
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 20
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 20
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 20
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,21
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,21
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 21
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 21
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 21
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 21
pdbx poly seq scheme.pdb strand id: A

A,1,PRO,22
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,PRO,22
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PRO
pdbx poly seq scheme.seq id: 22
pdbx poly seq scheme.auth mon id: PRO
pdbx poly seq scheme.auth seq num: 22
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 22
pdbx poly seq scheme.pdb mon id: PRO
pdbx poly seq scheme.pdb seq num: 22
pdbx poly seq scheme.pdb strand id: A

A,1,GLN,23
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLN,23
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLN
pdbx poly seq scheme.seq id: 23
pdbx poly seq scheme.auth mon id: GLN
pdbx poly seq scheme.auth seq num: 23
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 23
pdbx poly seq scheme.pdb mon id: GLN
pdbx poly seq scheme.pdb seq num: 23
pdbx poly seq scheme.pdb strand id: A

A,1,SER,24
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,SER,24
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: SER
pdbx poly seq scheme.seq id: 24
pdbx poly seq scheme.auth mon id: SER
pdbx poly seq scheme.auth seq num: 24
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 24
pdbx poly seq scheme.pdb mon id: SER
pdbx poly seq scheme.pdb seq num: 24
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,25
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,VAL,25
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 25
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 25
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 25
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 25
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,26
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,26
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 26
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 26
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 26
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 26
pdbx poly seq scheme.pdb strand id: A

A,1,GLU,27
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLU,27
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLU
pdbx poly seq scheme.seq id: 27
pdbx poly seq scheme.auth mon id: GLU
pdbx poly seq scheme.auth seq num: 27
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 27
pdbx poly seq scheme.pdb mon id: GLU
pdbx poly seq scheme.pdb seq num: 27
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,28
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,28
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 28
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 28
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 28
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 28
pdbx poly seq scheme.pdb strand id: A

A,1,ILE,29
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ILE,29
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ILE
pdbx poly seq scheme.seq id: 29
pdbx poly seq scheme.auth mon id: ILE
pdbx poly seq scheme.auth seq num: 29
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 29
pdbx poly seq scheme.pdb mon id: ILE
pdbx poly seq scheme.pdb seq num: 29
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,30
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,30
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 30
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 30
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 30
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 30
pdbx poly seq scheme.pdb strand id: A

A,1,THR,31
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,THR,31
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THR
pdbx poly seq scheme.seq id: 31
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 31
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 31
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 31
pdbx poly seq scheme.pdb strand id: A

A,1,TYR,32
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,TYR,32
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TYR
pdbx poly seq scheme.seq id: 32
pdbx poly seq scheme.auth mon id: TYR
pdbx poly seq scheme.auth seq num: 32
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 32
pdbx poly seq scheme.pdb mon id: TYR
pdbx poly seq scheme.pdb seq num: 32
pdbx poly seq scheme.pdb strand id: A

A,1,CYS,33
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,CYS,33
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: CYS
pdbx poly seq scheme.seq id: 33
pdbx poly seq scheme.auth mon id: CYS
pdbx poly seq scheme.auth seq num: 33
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 33
pdbx poly seq scheme.pdb mon id: CYS
pdbx poly seq scheme.pdb seq num: 33
pdbx poly seq scheme.pdb strand id: A

A,1,THR,34
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,THR,34
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THR
pdbx poly seq scheme.seq id: 34
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 34
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 34
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 34
pdbx poly seq scheme.pdb strand id: A

A,1,GLN,35
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLN,35
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLN
pdbx poly seq scheme.seq id: 35
pdbx poly seq scheme.auth mon id: GLN
pdbx poly seq scheme.auth seq num: 35
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 35
pdbx poly seq scheme.pdb mon id: GLN
pdbx poly seq scheme.pdb seq num: 35
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,36
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LYS,36
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 36
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 36
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 36
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 36
pdbx poly seq scheme.pdb strand id: A

A,1,GLU,37
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLU,37
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLU
pdbx poly seq scheme.seq id: 37
pdbx poly seq scheme.auth mon id: GLU
pdbx poly seq scheme.auth seq num: 37
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 37
pdbx poly seq scheme.pdb mon id: GLU
pdbx poly seq scheme.pdb seq num: 37
pdbx poly seq scheme.pdb strand id: A

A,1,TRP,38
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,TRP,38
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TRP
pdbx poly seq scheme.seq id: 38
pdbx poly seq scheme.auth mon id: TRP
pdbx poly seq scheme.auth seq num: 38
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 38
pdbx poly seq scheme.pdb mon id: TRP
pdbx poly seq scheme.pdb seq num: 38
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,39
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,39
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 39
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 39
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 39
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 39
pdbx poly seq scheme.pdb strand id: A

A,1,MET,40
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,MET,40
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: MET
pdbx poly seq scheme.seq id: 40
pdbx poly seq scheme.auth mon id: MET
pdbx poly seq scheme.auth seq num: 40
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 40
pdbx poly seq scheme.pdb mon id: MET
pdbx poly seq scheme.pdb seq num: 40
pdbx poly seq scheme.pdb strand id: A

A,1,ASN,41
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASN,41
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASN
pdbx poly seq scheme.seq id: 41
pdbx poly seq scheme.auth mon id: ASN
pdbx poly seq scheme.auth seq num: 41
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 41
pdbx poly seq scheme.pdb mon id: ASN
pdbx poly seq scheme.pdb seq num: 41
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,42
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,VAL,42
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 42
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 42
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 42
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 42
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,43
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLY,43
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 43
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 43
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 43
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 43
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,44
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,44
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 44
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 44
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 44
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 44
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,45
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,45
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 45
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 45
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 45
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 45
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,46
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LYS,46
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 46
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 46
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 46
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 46
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,47
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLY,47
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 47
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 47
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 47
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 47
pdbx poly seq scheme.pdb strand id: A

A,1,GLN,48
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLN,48
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLN
pdbx poly seq scheme.seq id: 48
pdbx poly seq scheme.auth mon id: GLN
pdbx poly seq scheme.auth seq num: 48
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 48
pdbx poly seq scheme.pdb mon id: GLN
pdbx poly seq scheme.pdb seq num: 48
pdbx poly seq scheme.pdb strand id: A

A,1,ILE,49
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ILE,49
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ILE
pdbx poly seq scheme.seq id: 49
pdbx poly seq scheme.auth mon id: ILE
pdbx poly seq scheme.auth seq num: 49
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 49
pdbx poly seq scheme.pdb mon id: ILE
pdbx poly seq scheme.pdb seq num: 49
pdbx poly seq scheme.pdb strand id: A

A,1,MET,50
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,MET,50
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: MET
pdbx poly seq scheme.seq id: 50
pdbx poly seq scheme.auth mon id: MET
pdbx poly seq scheme.auth seq num: 50
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 50
pdbx poly seq scheme.pdb mon id: MET
pdbx poly seq scheme.pdb seq num: 50
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,51
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,51
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 51
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 51
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 51
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 51
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,52
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,52
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 52
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 52
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 52
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 52
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,53
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,VAL,53
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 53
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 53
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 53
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 53
pdbx poly seq scheme.pdb strand id: A

A,1,ILE,54
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ILE,54
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ILE
pdbx poly seq scheme.seq id: 54
pdbx poly seq scheme.auth mon id: ILE
pdbx poly seq scheme.auth seq num: 54
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 54
pdbx poly seq scheme.pdb mon id: ILE
pdbx poly seq scheme.pdb seq num: 54
pdbx poly seq scheme.pdb strand id: A

A,1,ARG,55
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ARG,55
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ARG
pdbx poly seq scheme.seq id: 55
pdbx poly seq scheme.auth mon id: ARG
pdbx poly seq scheme.auth seq num: 55
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 55
pdbx poly seq scheme.pdb mon id: ARG
pdbx poly seq scheme.pdb seq num: 55
pdbx poly seq scheme.pdb strand id: A

A,1,GLU,56
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLU,56
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLU
pdbx poly seq scheme.seq id: 56
pdbx poly seq scheme.auth mon id: GLU
pdbx poly seq scheme.auth seq num: 56
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 56
pdbx poly seq scheme.pdb mon id: GLU
pdbx poly seq scheme.pdb seq num: 56
pdbx poly seq scheme.pdb strand id: A

A,1,TYR,57
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,TYR,57
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TYR
pdbx poly seq scheme.seq id: 57
pdbx poly seq scheme.auth mon id: TYR
pdbx poly seq scheme.auth seq num: 57
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 57
pdbx poly seq scheme.pdb mon id: TYR
pdbx poly seq scheme.pdb seq num: 57
pdbx poly seq scheme.pdb strand id: A

A,1,SER,58
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,SER,58
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: SER
pdbx poly seq scheme.seq id: 58
pdbx poly seq scheme.auth mon id: SER
pdbx poly seq scheme.auth seq num: 58
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 58
pdbx poly seq scheme.pdb mon id: SER
pdbx poly seq scheme.pdb seq num: 58
pdbx poly seq scheme.pdb strand id: A

A,1,PRO,59
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,PRO,59
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PRO
pdbx poly seq scheme.seq id: 59
pdbx poly seq scheme.auth mon id: PRO
pdbx poly seq scheme.auth seq num: 59
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 59
pdbx poly seq scheme.pdb mon id: PRO
pdbx poly seq scheme.pdb seq num: 59
pdbx poly seq scheme.pdb strand id: A

A,1,SER,60
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,SER,60
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: SER
pdbx poly seq scheme.seq id: 60
pdbx poly seq scheme.auth mon id: SER
pdbx poly seq scheme.auth seq num: 60
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 60
pdbx poly seq scheme.pdb mon id: SER
pdbx poly seq scheme.pdb seq num: 60
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,61
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,61
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 61
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 61
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 61
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 61
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,62
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,VAL,62
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 62
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 62
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 62
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 62
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,63
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,63
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 63
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 63
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 63
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 63
pdbx poly seq scheme.pdb strand id: A

A,1,GLU,64
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLU,64
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLU
pdbx poly seq scheme.seq id: 64
pdbx poly seq scheme.auth mon id: GLU
pdbx poly seq scheme.auth seq num: 64
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 64
pdbx poly seq scheme.pdb mon id: GLU
pdbx poly seq scheme.pdb seq num: 64
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,65
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,65
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 65
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 65
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 65
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 65
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,66
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLY,66
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 66
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 66
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 66
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 66
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,67
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,67
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 67
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 67
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 67
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 67
pdbx poly seq scheme.pdb strand id: A

A,1,TYR,68
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,TYR,68
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TYR
pdbx poly seq scheme.seq id: 68
pdbx poly seq scheme.auth mon id: TYR
pdbx poly seq scheme.auth seq num: 68
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 68
pdbx poly seq scheme.pdb mon id: TYR
pdbx poly seq scheme.pdb seq num: 68
pdbx poly seq scheme.pdb strand id: A

A,1,CYS,69
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,CYS,69
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: CYS
pdbx poly seq scheme.seq id: 69
pdbx poly seq scheme.auth mon id: CYS
pdbx poly seq scheme.auth seq num: 69
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 69
pdbx poly seq scheme.pdb mon id: CYS
pdbx poly seq scheme.pdb seq num: 69
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,70
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLY,70
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 70
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 70
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 70
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 70
pdbx poly seq scheme.pdb strand id: A

A,1,TYR,71
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,TYR,71
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TYR
pdbx poly seq scheme.seq id: 71
pdbx poly seq scheme.auth mon id: TYR
pdbx poly seq scheme.auth seq num: 71
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 71
pdbx poly seq scheme.pdb mon id: TYR
pdbx poly seq scheme.pdb seq num: 71
pdbx poly seq scheme.pdb strand id: A

A,1,SER,72
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,SER,72
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: SER
pdbx poly seq scheme.seq id: 72
pdbx poly seq scheme.auth mon id: SER
pdbx poly seq scheme.auth seq num: 72
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 72
pdbx poly seq scheme.pdb mon id: SER
pdbx poly seq scheme.pdb seq num: 72
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,73
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,73
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 73
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 73
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 73
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 73
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,74
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,VAL,74
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 74
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 74
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 74
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 74
pdbx poly seq scheme.pdb strand id: A

A,1,ARG,75
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ARG,75
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ARG
pdbx poly seq scheme.seq id: 75
pdbx poly seq scheme.auth mon id: ARG
pdbx poly seq scheme.auth seq num: 75
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 75
pdbx poly seq scheme.pdb mon id: ARG
pdbx poly seq scheme.pdb seq num: 75
pdbx poly seq scheme.pdb strand id: A

A,1,MET,76
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,MET,76
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: MET
pdbx poly seq scheme.seq id: 76
pdbx poly seq scheme.auth mon id: MET
pdbx poly seq scheme.auth seq num: 76
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 76
pdbx poly seq scheme.pdb mon id: MET
pdbx poly seq scheme.pdb seq num: 76
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,77
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,77
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 77
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 77
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 77
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 77
pdbx poly seq scheme.pdb strand id: A

A,1,ARG,78
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ARG,78
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ARG
pdbx poly seq scheme.seq id: 78
pdbx poly seq scheme.auth mon id: ARG
pdbx poly seq scheme.auth seq num: 78
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 78
pdbx poly seq scheme.pdb mon id: ARG
pdbx poly seq scheme.pdb seq num: 78
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,79
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,79
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 79
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 79
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 79
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 79
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,80
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,80
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 80
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 80
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 80
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 80
pdbx poly seq scheme.pdb strand id: A

A,1,GLN,81
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLN,81
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLN
pdbx poly seq scheme.seq id: 81
pdbx poly seq scheme.auth mon id: GLN
pdbx poly seq scheme.auth seq num: 81
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 81
pdbx poly seq scheme.pdb mon id: GLN
pdbx poly seq scheme.pdb seq num: 81
pdbx poly seq scheme.pdb strand id: A

A,1,PRO,82
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,PRO,82
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PRO
pdbx poly seq scheme.seq id: 82
pdbx poly seq scheme.auth mon id: PRO
pdbx poly seq scheme.auth seq num: 82
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 82
pdbx poly seq scheme.pdb mon id: PRO
pdbx poly seq scheme.pdb seq num: 82
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,83
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLY,83
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 83
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 83
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 83
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 83
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,84
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,84
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 84
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 84
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 84
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 84
pdbx poly seq scheme.pdb strand id: A

A,1,ARG,85
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ARG,85
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ARG
pdbx poly seq scheme.seq id: 85
pdbx poly seq scheme.auth mon id: ARG
pdbx poly seq scheme.auth seq num: 85
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 85
pdbx poly seq scheme.pdb mon id: ARG
pdbx poly seq scheme.pdb seq num: 85
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,86
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,86
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 86
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 86
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 86
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 86
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,87
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,87
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 87
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 87
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 87
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 87
pdbx poly seq scheme.pdb strand id: A

A,1,THR,88
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,THR,88
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THR
pdbx poly seq scheme.seq id: 88
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 88
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 88
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 88
pdbx poly seq scheme.pdb strand id: A

A,1,MET,89
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,MET,89
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: MET
pdbx poly seq scheme.seq id: 89
pdbx poly seq scheme.auth mon id: MET
pdbx poly seq scheme.auth seq num: 89
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 89
pdbx poly seq scheme.pdb mon id: MET
pdbx poly seq scheme.pdb seq num: 89
pdbx poly seq scheme.pdb strand id: A

A,1,GLU,90
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLU,90
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLU
pdbx poly seq scheme.seq id: 90
pdbx poly seq scheme.auth mon id: GLU
pdbx poly seq scheme.auth seq num: 90
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 90
pdbx poly seq scheme.pdb mon id: GLU
pdbx poly seq scheme.pdb seq num: 90
pdbx poly seq scheme.pdb strand id: A

A,1,ILE,91
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ILE,91
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ILE
pdbx poly seq scheme.seq id: 91
pdbx poly seq scheme.auth mon id: ILE
pdbx poly seq scheme.auth seq num: 91
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 91
pdbx poly seq scheme.pdb mon id: ILE
pdbx poly seq scheme.pdb seq num: 91
pdbx poly seq scheme.pdb strand id: A

A,1,ASN,92
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASN,92
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASN
pdbx poly seq scheme.seq id: 92
pdbx poly seq scheme.auth mon id: ASN
pdbx poly seq scheme.auth seq num: 92
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 92
pdbx poly seq scheme.pdb mon id: ASN
pdbx poly seq scheme.pdb seq num: 92
pdbx poly seq scheme.pdb strand id: A

A,1,PRO,93
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,PRO,93
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PRO
pdbx poly seq scheme.seq id: 93
pdbx poly seq scheme.auth mon id: PRO
pdbx poly seq scheme.auth seq num: 93
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 93
pdbx poly seq scheme.pdb mon id: PRO
pdbx poly seq scheme.pdb seq num: 93
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,94
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,94
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 94
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 94
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 94
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 94
pdbx poly seq scheme.pdb strand id: A

A,1,CYS,95
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,CYS,95
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: CYS
pdbx poly seq scheme.seq id: 95
pdbx poly seq scheme.auth mon id: CYS
pdbx poly seq scheme.auth seq num: 95
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 95
pdbx poly seq scheme.pdb mon id: CYS
pdbx poly seq scheme.pdb seq num: 95
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,96
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,96
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 96
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 96
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 96
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 96
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,97
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,97
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 97
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 97
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 97
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 97
pdbx poly seq scheme.pdb strand id: A

A,1,ILE,98
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ILE,98
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ILE
pdbx poly seq scheme.seq id: 98
pdbx poly seq scheme.auth mon id: ILE
pdbx poly seq scheme.auth seq num: 98
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 98
pdbx poly seq scheme.pdb mon id: ILE
pdbx poly seq scheme.pdb seq num: 98
pdbx poly seq scheme.pdb strand id: A

A,1,THR,99
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,THR,99
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THR
pdbx poly seq scheme.seq id: 99
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 99
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 99
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 99
pdbx poly seq scheme.pdb strand id: A

A,1,GLN,100
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLN,100
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLN
pdbx poly seq scheme.seq id: 100
pdbx poly seq scheme.auth mon id: GLN
pdbx poly seq scheme.auth seq num: 100
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 100
pdbx poly seq scheme.pdb mon id: GLN
pdbx poly seq scheme.pdb seq num: 100
pdbx poly seq scheme.pdb strand id: A

A,1,GLN,101
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLN,101
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLN
pdbx poly seq scheme.seq id: 101
pdbx poly seq scheme.auth mon id: GLN
pdbx poly seq scheme.auth seq num: 101
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 101
pdbx poly seq scheme.pdb mon id: GLN
pdbx poly seq scheme.pdb seq num: 101
pdbx poly seq scheme.pdb strand id: A

A,1,MET,102
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,MET,102
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: MET
pdbx poly seq scheme.seq id: 102
pdbx poly seq scheme.auth mon id: MET
pdbx poly seq scheme.auth seq num: 102
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 102
pdbx poly seq scheme.pdb mon id: MET
pdbx poly seq scheme.pdb seq num: 102
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,103
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,103
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 103
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 103
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 103
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 103
pdbx poly seq scheme.pdb strand id: A

A,1,ASN,104
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASN,104
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASN
pdbx poly seq scheme.seq id: 104
pdbx poly seq scheme.auth mon id: ASN
pdbx poly seq scheme.auth seq num: 104
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 104
pdbx poly seq scheme.pdb mon id: ASN
pdbx poly seq scheme.pdb seq num: 104
pdbx poly seq scheme.pdb strand id: A

A,1,PHE,105
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,PHE,105
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PHE
pdbx poly seq scheme.seq id: 105
pdbx poly seq scheme.auth mon id: PHE
pdbx poly seq scheme.auth seq num: 105
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 105
pdbx poly seq scheme.pdb mon id: PHE
pdbx poly seq scheme.pdb seq num: 105
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,106
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,106
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 106
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 106
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 106
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 106
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,107
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLY,107
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 107
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 107
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 107
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 107
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,108
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,108
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 108
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 108
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 108
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 108
pdbx poly seq scheme.pdb strand id: A

A,1,GLN,109
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLN,109
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLN
pdbx poly seq scheme.seq id: 109
pdbx poly seq scheme.auth mon id: GLN
pdbx poly seq scheme.auth seq num: 109
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 109
pdbx poly seq scheme.pdb mon id: GLN
pdbx poly seq scheme.pdb seq num: 109
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,110
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,110
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 110
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 110
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 110
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 110
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,111
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LYS,111
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 111
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 111
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 111
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 111
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,112
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,VAL,112
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 112
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 112
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 112
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 112
pdbx poly seq scheme.pdb strand id: A

A,1,THR,113
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,THR,113
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THR
pdbx poly seq scheme.seq id: 113
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 113
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 113
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 113
pdbx poly seq scheme.pdb strand id: A

A,1,ILE,114
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ILE,114
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ILE
pdbx poly seq scheme.seq id: 114
pdbx poly seq scheme.auth mon id: ILE
pdbx poly seq scheme.auth seq num: 114
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 114
pdbx poly seq scheme.pdb mon id: ILE
pdbx poly seq scheme.pdb seq num: 114
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,115
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,115
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 115
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 115
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 115
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 115
pdbx poly seq scheme.pdb strand id: A

A,1,ASN,116
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASN,116
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASN
pdbx poly seq scheme.seq id: 116
pdbx poly seq scheme.auth mon id: ASN
pdbx poly seq scheme.auth seq num: 116
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 116
pdbx poly seq scheme.pdb mon id: ASN
pdbx poly seq scheme.pdb seq num: 116
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,117
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLY,117
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 117
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 117
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 117
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 117
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,118
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,118
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 118
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 118
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 118
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 118
pdbx poly seq scheme.pdb strand id: A

A,1,SER,119
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,SER,119
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: SER
pdbx poly seq scheme.seq id: 119
pdbx poly seq scheme.auth mon id: SER
pdbx poly seq scheme.auth seq num: 119
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 119
pdbx poly seq scheme.pdb mon id: SER
pdbx poly seq scheme.pdb seq num: 119
pdbx poly seq scheme.pdb strand id: A

A,1,GLN,120
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLN,120
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLN
pdbx poly seq scheme.seq id: 120
pdbx poly seq scheme.auth mon id: GLN
pdbx poly seq scheme.auth seq num: 120
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 120
pdbx poly seq scheme.pdb mon id: GLN
pdbx poly seq scheme.pdb seq num: 120
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,121
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,121
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 121
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 121
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 121
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 121
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,122
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,122
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 122
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 122
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 122
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 122
pdbx poly seq scheme.pdb strand id: A

A,1,ILE,123
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ILE,123
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ILE
pdbx poly seq scheme.seq id: 123
pdbx poly seq scheme.auth mon id: ILE
pdbx poly seq scheme.auth seq num: 123
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 123
pdbx poly seq scheme.pdb mon id: ILE
pdbx poly seq scheme.pdb seq num: 123
pdbx poly seq scheme.pdb strand id: A

A,1,PRO,124
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,PRO,124
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PRO
pdbx poly seq scheme.seq id: 124
pdbx poly seq scheme.auth mon id: PRO
pdbx poly seq scheme.auth seq num: 124
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 124
pdbx poly seq scheme.pdb mon id: PRO
pdbx poly seq scheme.pdb seq num: 124
pdbx poly seq scheme.pdb strand id: A

A,1,GLN,125
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLN,125
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLN
pdbx poly seq scheme.seq id: 125
pdbx poly seq scheme.auth mon id: GLN
pdbx poly seq scheme.auth seq num: 125
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 125
pdbx poly seq scheme.pdb mon id: GLN
pdbx poly seq scheme.pdb seq num: 125
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,126
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,126
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 126
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 126
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 126
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 126
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,127
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LYS,127
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 127
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 127
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 127
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 127
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,128
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LYS,128
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 128
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 128
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 128
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 128
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,129
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LYS,129
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 129
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 129
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 129
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 129
pdbx poly seq scheme.pdb strand id: A

A,1,TYR,130
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,TYR,130
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TYR
pdbx poly seq scheme.seq id: 130
pdbx poly seq scheme.auth mon id: TYR
pdbx poly seq scheme.auth seq num: 130
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 130
pdbx poly seq scheme.pdb mon id: TYR
pdbx poly seq scheme.pdb seq num: 130
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,131
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,131
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 131
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 131
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 131
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 131
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,132
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,VAL,132
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 132
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 132
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 132
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 132
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,133
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,133
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 133
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 133
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 133
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 133
pdbx poly seq scheme.pdb strand id: A

A,1,THR,134
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,THR,134
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THR
pdbx poly seq scheme.seq id: 134
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 134
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 134
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 134
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,135
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,135
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 135
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 135
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 135
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 135
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,136
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,136
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 136
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 136
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 136
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 136
pdbx poly seq scheme.pdb strand id: A

A,1,MET,137
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,MET,137
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: MET
pdbx poly seq scheme.seq id: 137
pdbx poly seq scheme.auth mon id: MET
pdbx poly seq scheme.auth seq num: 137
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 137
pdbx poly seq scheme.pdb mon id: MET
pdbx poly seq scheme.pdb seq num: 137
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,138
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,VAL,138
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 138
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 138
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 138
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 138
pdbx poly seq scheme.pdb strand id: A

A,1,PHE,139
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,PHE,139
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PHE
pdbx poly seq scheme.seq id: 139
pdbx poly seq scheme.auth mon id: PHE
pdbx poly seq scheme.auth seq num: 139
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 139
pdbx poly seq scheme.pdb mon id: PHE
pdbx poly seq scheme.pdb seq num: 139
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,140
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,140
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 140
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 140
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 140
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 140
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,141
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,141
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 141
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 141
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 141
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 141
pdbx poly seq scheme.pdb strand id: A

A,1,HIS,142
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,HIS,142
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: HIS
pdbx poly seq scheme.seq id: 142
pdbx poly seq scheme.auth mon id: HIS
pdbx poly seq scheme.auth seq num: 142
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 142
pdbx poly seq scheme.pdb mon id: HIS
pdbx poly seq scheme.pdb seq num: 142
pdbx poly seq scheme.pdb strand id: A

A,1,TRP,143
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,TRP,143
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TRP
pdbx poly seq scheme.seq id: 143
pdbx poly seq scheme.auth mon id: TRP
pdbx poly seq scheme.auth seq num: 143
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 143
pdbx poly seq scheme.pdb mon id: TRP
pdbx poly seq scheme.pdb seq num: 143
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,144
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LYS,144
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 144
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 144
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 144
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 144
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,145
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,145
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 145
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 145
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 145
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 145
pdbx poly seq scheme.pdb strand id: A

A,1,ARG,146
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ARG,146
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ARG
pdbx poly seq scheme.seq id: 146
pdbx poly seq scheme.auth mon id: ARG
pdbx poly seq scheme.auth seq num: 146
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 146
pdbx poly seq scheme.pdb mon id: ARG
pdbx poly seq scheme.pdb seq num: 146
pdbx poly seq scheme.pdb strand id: A

A,1,TYR,147
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,TYR,147
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TYR
pdbx poly seq scheme.seq id: 147
pdbx poly seq scheme.auth mon id: TYR
pdbx poly seq scheme.auth seq num: 147
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 147
pdbx poly seq scheme.pdb mon id: TYR
pdbx poly seq scheme.pdb seq num: 147
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,148
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,148
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 148
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 148
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 148
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 148
pdbx poly seq scheme.pdb strand id: A

A,1,PRO,149
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,PRO,149
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PRO
pdbx poly seq scheme.seq id: 149
pdbx poly seq scheme.auth mon id: PRO
pdbx poly seq scheme.auth seq num: 149
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 149
pdbx poly seq scheme.pdb mon id: PRO
pdbx poly seq scheme.pdb seq num: 149
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,150
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,150
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 150
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 150
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 150
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 150
pdbx poly seq scheme.pdb strand id: A

A,1,THR,151
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,THR,151
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THR
pdbx poly seq scheme.seq id: 151
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 151
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 151
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 151
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,152
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,152
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 152
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 152
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 152
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 152
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,153
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,153
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 153
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 153
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 153
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 153
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,154
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,154
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 154
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 154
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 154
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 154
pdbx poly seq scheme.pdb strand id: A

A,1,GLU,155
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLU,155
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLU
pdbx poly seq scheme.seq id: 155
pdbx poly seq scheme.auth mon id: GLU
pdbx poly seq scheme.auth seq num: 155
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 155
pdbx poly seq scheme.pdb mon id: GLU
pdbx poly seq scheme.pdb seq num: 155
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,156
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LYS,156
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 156
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 156
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 156
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 156
pdbx poly seq scheme.pdb strand id: A

A,1,CYS,157
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,CYS,157
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: CYS
pdbx poly seq scheme.seq id: 157
pdbx poly seq scheme.auth mon id: CYS
pdbx poly seq scheme.auth seq num: 157
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 157
pdbx poly seq scheme.pdb mon id: CYS
pdbx poly seq scheme.pdb seq num: 157
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,158
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLY,158
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 158
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 158
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 158
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 158
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,159
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,159
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 159
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 159
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 159
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 159
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,160
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,160
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 160
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 160
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 160
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 160
pdbx poly seq scheme.pdb strand id: A

A,1,ARG,161
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ARG,161
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ARG
pdbx poly seq scheme.seq id: 161
pdbx poly seq scheme.auth mon id: ARG
pdbx poly seq scheme.auth seq num: 161
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 161
pdbx poly seq scheme.pdb mon id: ARG
pdbx poly seq scheme.pdb seq num: 161
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,162
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LYS,162
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 162
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 162
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 162
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 162
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,163
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLY,163
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 163
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 163
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 163
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 163
pdbx poly seq scheme.pdb strand id: A

A,1,THR,164
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,THR,164
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THR
pdbx poly seq scheme.seq id: 164
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 164
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 164
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 164
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,165
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,VAL,165
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 165
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 165
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 165
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 165
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,166
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,166
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 166
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 166
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 166
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 166
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,167
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,167
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 167
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 167
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 167
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 167
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,168
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,168
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 168
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 168
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 168
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 168
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,169
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,169
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 169
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 169
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 169
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 169
pdbx poly seq scheme.pdb strand id: A

A,1,ASN,170
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASN,170
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASN
pdbx poly seq scheme.seq id: 170
pdbx poly seq scheme.auth mon id: ASN
pdbx poly seq scheme.auth seq num: 170
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 170
pdbx poly seq scheme.pdb mon id: ASN
pdbx poly seq scheme.pdb seq num: 170
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,171
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,VAL,171
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 171
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 171
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 171
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 171
pdbx poly seq scheme.pdb strand id: A

A,1,ILE,172
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ILE,172
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ILE
pdbx poly seq scheme.seq id: 172
pdbx poly seq scheme.auth mon id: ILE
pdbx poly seq scheme.auth seq num: 172
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 172
pdbx poly seq scheme.pdb mon id: ILE
pdbx poly seq scheme.pdb seq num: 172
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,173
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,VAL,173
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 173
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 173
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 173
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 173
pdbx poly seq scheme.pdb strand id: A

A,1,PRO,174
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,PRO,174
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PRO
pdbx poly seq scheme.seq id: 174
pdbx poly seq scheme.auth mon id: PRO
pdbx poly seq scheme.auth seq num: 174
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 174
pdbx poly seq scheme.pdb mon id: PRO
pdbx poly seq scheme.pdb seq num: 174
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,175
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLY,175
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 175
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 175
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 175
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 175
pdbx poly seq scheme.pdb strand id: A

A,1,THR,176
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,THR,176
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THR
pdbx poly seq scheme.seq id: 176
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 176
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 176
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 176
pdbx poly seq scheme.pdb strand id: A

A,1,PRO,177
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,PRO,177
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PRO
pdbx poly seq scheme.seq id: 177
pdbx poly seq scheme.auth mon id: PRO
pdbx poly seq scheme.auth seq num: 177
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 177
pdbx poly seq scheme.pdb mon id: PRO
pdbx poly seq scheme.pdb seq num: 177
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,178
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,178
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 178
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 178
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 178
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 178
pdbx poly seq scheme.pdb strand id: A

A,1,PHE,179
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,PHE,179
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PHE
pdbx poly seq scheme.seq id: 179
pdbx poly seq scheme.auth mon id: PHE
pdbx poly seq scheme.auth seq num: 179
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 179
pdbx poly seq scheme.pdb mon id: PHE
pdbx poly seq scheme.pdb seq num: 179
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,180
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,180
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 180
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 180
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 180
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 180
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,181
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,181
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 181
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 181
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 181
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 181
pdbx poly seq scheme.pdb strand id: A

A,1,TYR,182
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,TYR,182
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TYR
pdbx poly seq scheme.seq id: 182
pdbx poly seq scheme.auth mon id: TYR
pdbx poly seq scheme.auth seq num: 182
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 182
pdbx poly seq scheme.pdb mon id: TYR
pdbx poly seq scheme.pdb seq num: 182
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,183
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,VAL,183
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 183
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 183
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 183
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 183
pdbx poly seq scheme.pdb strand id: A

A,1,ARG,184
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ARG,184
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ARG
pdbx poly seq scheme.seq id: 184
pdbx poly seq scheme.auth mon id: ARG
pdbx poly seq scheme.auth seq num: 184
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 184
pdbx poly seq scheme.pdb mon id: ARG
pdbx poly seq scheme.pdb seq num: 184
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,185
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLY,185
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 185
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 185
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 185
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 185
pdbx poly seq scheme.pdb strand id: A

A,1,SER,186
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,SER,186
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: SER
pdbx poly seq scheme.seq id: 186
pdbx poly seq scheme.auth mon id: SER
pdbx poly seq scheme.auth seq num: 186
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 186
pdbx poly seq scheme.pdb mon id: SER
pdbx poly seq scheme.pdb seq num: 186
pdbx poly seq scheme.pdb strand id: A

A,1,SER,187
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,SER,187
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: SER
pdbx poly seq scheme.seq id: 187
pdbx poly seq scheme.auth mon id: SER
pdbx poly seq scheme.auth seq num: 187
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 187
pdbx poly seq scheme.pdb mon id: SER
pdbx poly seq scheme.pdb seq num: 187
pdbx poly seq scheme.pdb strand id: A

A,1,SER,188
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,SER,188
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: SER
pdbx poly seq scheme.seq id: 188
pdbx poly seq scheme.auth mon id: SER
pdbx poly seq scheme.auth seq num: 188
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 188
pdbx poly seq scheme.pdb mon id: SER
pdbx poly seq scheme.pdb seq num: 188
pdbx poly seq scheme.pdb strand id: A

A,1,PHE,189
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,PHE,189
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PHE
pdbx poly seq scheme.seq id: 189
pdbx poly seq scheme.auth mon id: PHE
pdbx poly seq scheme.auth seq num: 189
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 189
pdbx poly seq scheme.pdb mon id: PHE
pdbx poly seq scheme.pdb seq num: 189
pdbx poly seq scheme.pdb strand id: A

A,1,GLU,190
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLU,190
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLU
pdbx poly seq scheme.seq id: 190
pdbx poly seq scheme.auth mon id: GLU
pdbx poly seq scheme.auth seq num: 190
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 190
pdbx poly seq scheme.pdb mon id: GLU
pdbx poly seq scheme.pdb seq num: 190
pdbx poly seq scheme.pdb strand id: A

A,1,CYS,191
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,CYS,191
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: CYS
pdbx poly seq scheme.seq id: 191
pdbx poly seq scheme.auth mon id: CYS
pdbx poly seq scheme.auth seq num: 191
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 191
pdbx poly seq scheme.pdb mon id: CYS
pdbx poly seq scheme.pdb seq num: 191
pdbx poly seq scheme.pdb strand id: A

A,1,THR,192
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,THR,192
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THR
pdbx poly seq scheme.seq id: 192
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 192
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 192
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 192
pdbx poly seq scheme.pdb strand id: A

A,1,HIS,193
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,HIS,193
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: HIS
pdbx poly seq scheme.seq id: 193
pdbx poly seq scheme.auth mon id: HIS
pdbx poly seq scheme.auth seq num: 193
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 193
pdbx poly seq scheme.pdb mon id: HIS
pdbx poly seq scheme.pdb seq num: 193
pdbx poly seq scheme.pdb strand id: A

A,1,TYR,194
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,TYR,194
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TYR
pdbx poly seq scheme.seq id: 194
pdbx poly seq scheme.auth mon id: TYR
pdbx poly seq scheme.auth seq num: 194
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 194
pdbx poly seq scheme.pdb mon id: TYR
pdbx poly seq scheme.pdb seq num: 194
pdbx poly seq scheme.pdb strand id: A

A,1,SER,195
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,SER,195
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: SER
pdbx poly seq scheme.seq id: 195
pdbx poly seq scheme.auth mon id: SER
pdbx poly seq scheme.auth seq num: 195
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 195
pdbx poly seq scheme.pdb mon id: SER
pdbx poly seq scheme.pdb seq num: 195
pdbx poly seq scheme.pdb strand id: A

A,1,SER,196
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,SER,196
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: SER
pdbx poly seq scheme.seq id: 196
pdbx poly seq scheme.auth mon id: SER
pdbx poly seq scheme.auth seq num: 196
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 196
pdbx poly seq scheme.pdb mon id: SER
pdbx poly seq scheme.pdb seq num: 196
pdbx poly seq scheme.pdb strand id: A

A,1,TYR,197
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,TYR,197
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TYR
pdbx poly seq scheme.seq id: 197
pdbx poly seq scheme.auth mon id: TYR
pdbx poly seq scheme.auth seq num: 197
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 197
pdbx poly seq scheme.pdb mon id: TYR
pdbx poly seq scheme.pdb seq num: 197
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,198
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,198
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 198
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 198
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 198
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 198
pdbx poly seq scheme.pdb strand id: A

A,1,GLU,199
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLU,199
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLU
pdbx poly seq scheme.seq id: 199
pdbx poly seq scheme.auth mon id: GLU
pdbx poly seq scheme.auth seq num: 199
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 199
pdbx poly seq scheme.pdb mon id: GLU
pdbx poly seq scheme.pdb seq num: 199
pdbx poly seq scheme.pdb strand id: A

A,1,TYR,200
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,TYR,200
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TYR
pdbx poly seq scheme.seq id: 200
pdbx poly seq scheme.auth mon id: TYR
pdbx poly seq scheme.auth seq num: 200
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 200
pdbx poly seq scheme.pdb mon id: TYR
pdbx poly seq scheme.pdb seq num: 200
pdbx poly seq scheme.pdb strand id: A

A,1,MET,201
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,MET,201
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: MET
pdbx poly seq scheme.seq id: 201
pdbx poly seq scheme.auth mon id: MET
pdbx poly seq scheme.auth seq num: 201
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 201
pdbx poly seq scheme.pdb mon id: MET
pdbx poly seq scheme.pdb seq num: 201
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,202
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LYS,202
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 202
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 202
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 202
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 202
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,203
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,VAL,203
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 203
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 203
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 203
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 203
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,204
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,VAL,204
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 204
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 204
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 204
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 204
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,205
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,205
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 205
pdbx poly seq scheme.auth mon id: ASP
pdbx poly seq scheme.auth seq num: 205
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 205
pdbx poly seq scheme.pdb mon id: ASP
pdbx poly seq scheme.pdb seq num: 205
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,206
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLY,206
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 206
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 206
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 206
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 206
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,207
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LEU,207
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 207
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 207
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 207
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 207
pdbx poly seq scheme.pdb strand id: A

A,1,GLU,208
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLU,208
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLU
pdbx poly seq scheme.seq id: 208
pdbx poly seq scheme.auth mon id: GLU
pdbx poly seq scheme.auth seq num: 208
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 208
pdbx poly seq scheme.pdb mon id: GLU
pdbx poly seq scheme.pdb seq num: 208
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,209
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LYS,209
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 209
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 209
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 209
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 209
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,210
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ALA,210
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 210
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 210
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 210
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 210
pdbx poly seq scheme.pdb strand id: A

A,1,ILE,211
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ILE,211
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ILE
pdbx poly seq scheme.seq id: 211
pdbx poly seq scheme.auth mon id: ILE
pdbx poly seq scheme.auth seq num: 211
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 211
pdbx poly seq scheme.pdb mon id: ILE
pdbx poly seq scheme.pdb seq num: 211
pdbx poly seq scheme.pdb strand id: A

A,1,TYR,212
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,TYR,212
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TYR
pdbx poly seq scheme.seq id: 212
pdbx poly seq scheme.auth mon id: TYR
pdbx poly seq scheme.auth seq num: 212
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 212
pdbx poly seq scheme.pdb mon id: TYR
pdbx poly seq scheme.pdb seq num: 212
pdbx poly seq scheme.pdb strand id: A

A,1,GLN,213
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLN,213
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLN
pdbx poly seq scheme.seq id: 213
pdbx poly seq scheme.auth mon id: GLN
pdbx poly seq scheme.auth seq num: 213
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 213
pdbx poly seq scheme.pdb mon id: GLN
pdbx poly seq scheme.pdb seq num: 213
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,214
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,GLY,214
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 214
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 214
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 214
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 214
pdbx poly seq scheme.pdb strand id: A

A,1,PRO,215
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,PRO,215
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PRO
pdbx poly seq scheme.seq id: 215
pdbx poly seq scheme.auth mon id: PRO
pdbx poly seq scheme.auth seq num: 215
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 215
pdbx poly seq scheme.pdb mon id: PRO
pdbx poly seq scheme.pdb seq num: 215
pdbx poly seq scheme.pdb strand id: A

A,1,SER,216
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,SER,216
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: SER
pdbx poly seq scheme.seq id: 216
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 216
pdbx poly seq scheme.pdb seq num: 216
pdbx poly seq scheme.pdb strand id: A

A,1,SER,217
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,SER,217
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: SER
pdbx poly seq scheme.seq id: 217
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 217
pdbx poly seq scheme.pdb seq num: 217
pdbx poly seq scheme.pdb strand id: A

A,1,PRO,218
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,PRO,218
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PRO
pdbx poly seq scheme.seq id: 218
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 218
pdbx poly seq scheme.pdb seq num: 218
pdbx poly seq scheme.pdb strand id: A

A,1,ASP,219
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,ASP,219
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASP
pdbx poly seq scheme.seq id: 219
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 219
pdbx poly seq scheme.pdb seq num: 219
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,220
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,LYS,220
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 220
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 220
pdbx poly seq scheme.pdb seq num: 220
pdbx poly seq scheme.pdb strand id: A

A,1,SER,221
type: pdbx poly seq scheme
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity poly seq: 1,SER,221
reference to struct asym: http://rdf.wwpdb.org/pdb/5P94/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: SER
pdbx poly seq scheme.seq id: 221
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 221
pdbx poly seq scheme.pdb seq num: 221
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_assembly/1
type: pdbx struct assembly
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct assembly.id: 1
pdbx struct assembly.details: author_and_software_defined_assembly
pdbx struct assembly.method details: PISA
pdbx struct assembly.oligomeric count: 1
pdbx struct assembly.oligomeric details: monomeric
referenced by pdbx struct assembly gen: 1,A,B,C,D,E,F,G,H,I,1

1,A,B,C,D,E,F,G,H,I,1
type: pdbx struct assembly gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A,B,C,D,E,F,G,H,I
pdbx struct assembly gen.oper expression: 1

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_conn_angle/1
type: pdbx struct conn angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct conn angle.id: 1
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: ASP
pdbx struct conn angle.ptnr1 auth seq id: 141
pdbx struct conn angle.ptnr1 label asym id: A
pdbx struct conn angle.ptnr1 label atom id: OD1
pdbx struct conn angle.ptnr1 label comp id: ASP
pdbx struct conn angle.ptnr1 label seq id: 141
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: A
pdbx struct conn angle.ptnr2 auth comp id: MG
pdbx struct conn angle.ptnr2 auth seq id: 301
pdbx struct conn angle.ptnr2 label asym id: B
pdbx struct conn angle.ptnr2 label atom id: MG
pdbx struct conn angle.ptnr2 label comp id: MG
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: ASP
pdbx struct conn angle.ptnr3 auth seq id: 169
pdbx struct conn angle.ptnr3 label asym id: A
pdbx struct conn angle.ptnr3 label atom id: OD2
pdbx struct conn angle.ptnr3 label comp id: ASP
pdbx struct conn angle.ptnr3 label seq id: 169
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 92.7

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_conn_angle/2
type: pdbx struct conn angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct conn angle.id: 2
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: ASP
pdbx struct conn angle.ptnr1 auth seq id: 141
pdbx struct conn angle.ptnr1 label asym id: A
pdbx struct conn angle.ptnr1 label atom id: OD1
pdbx struct conn angle.ptnr1 label comp id: ASP
pdbx struct conn angle.ptnr1 label seq id: 141
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: A
pdbx struct conn angle.ptnr2 auth comp id: MG
pdbx struct conn angle.ptnr2 auth seq id: 301
pdbx struct conn angle.ptnr2 label asym id: B
pdbx struct conn angle.ptnr2 label atom id: MG
pdbx struct conn angle.ptnr2 label comp id: MG
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: ASN
pdbx struct conn angle.ptnr3 auth seq id: 170
pdbx struct conn angle.ptnr3 label asym id: A
pdbx struct conn angle.ptnr3 label atom id: OD1
pdbx struct conn angle.ptnr3 label comp id: ASN
pdbx struct conn angle.ptnr3 label seq id: 170
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 94.1

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_conn_angle/3
type: pdbx struct conn angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct conn angle.id: 3
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: ASP
pdbx struct conn angle.ptnr1 auth seq id: 169
pdbx struct conn angle.ptnr1 label asym id: A
pdbx struct conn angle.ptnr1 label atom id: OD2
pdbx struct conn angle.ptnr1 label comp id: ASP
pdbx struct conn angle.ptnr1 label seq id: 169
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: A
pdbx struct conn angle.ptnr2 auth comp id: MG
pdbx struct conn angle.ptnr2 auth seq id: 301
pdbx struct conn angle.ptnr2 label asym id: B
pdbx struct conn angle.ptnr2 label atom id: MG
pdbx struct conn angle.ptnr2 label comp id: MG
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: ASN
pdbx struct conn angle.ptnr3 auth seq id: 170
pdbx struct conn angle.ptnr3 label asym id: A
pdbx struct conn angle.ptnr3 label atom id: OD1
pdbx struct conn angle.ptnr3 label comp id: ASN
pdbx struct conn angle.ptnr3 label seq id: 170
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 83.1

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_conn_angle/4
type: pdbx struct conn angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct conn angle.id: 4
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: ASP
pdbx struct conn angle.ptnr1 auth seq id: 141
pdbx struct conn angle.ptnr1 label asym id: A
pdbx struct conn angle.ptnr1 label atom id: OD1
pdbx struct conn angle.ptnr1 label comp id: ASP
pdbx struct conn angle.ptnr1 label seq id: 141
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: A
pdbx struct conn angle.ptnr2 auth comp id: MG
pdbx struct conn angle.ptnr2 auth seq id: 301
pdbx struct conn angle.ptnr2 label asym id: B
pdbx struct conn angle.ptnr2 label atom id: MG
pdbx struct conn angle.ptnr2 label comp id: MG
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: 76T
pdbx struct conn angle.ptnr3 auth seq id: 306
pdbx struct conn angle.ptnr3 label asym id: G
pdbx struct conn angle.ptnr3 label atom id: O22
pdbx struct conn angle.ptnr3 label comp id: 76T
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 86.9

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_conn_angle/5
type: pdbx struct conn angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct conn angle.id: 5
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: ASP
pdbx struct conn angle.ptnr1 auth seq id: 169
pdbx struct conn angle.ptnr1 label asym id: A
pdbx struct conn angle.ptnr1 label atom id: OD2
pdbx struct conn angle.ptnr1 label comp id: ASP
pdbx struct conn angle.ptnr1 label seq id: 169
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: A
pdbx struct conn angle.ptnr2 auth comp id: MG
pdbx struct conn angle.ptnr2 auth seq id: 301
pdbx struct conn angle.ptnr2 label asym id: B
pdbx struct conn angle.ptnr2 label atom id: MG
pdbx struct conn angle.ptnr2 label comp id: MG
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: 76T
pdbx struct conn angle.ptnr3 auth seq id: 306
pdbx struct conn angle.ptnr3 label asym id: G
pdbx struct conn angle.ptnr3 label atom id: O22
pdbx struct conn angle.ptnr3 label comp id: 76T
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 166.1

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_conn_angle/6
type: pdbx struct conn angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct conn angle.id: 6
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: ASN
pdbx struct conn angle.ptnr1 auth seq id: 170
pdbx struct conn angle.ptnr1 label asym id: A
pdbx struct conn angle.ptnr1 label atom id: OD1
pdbx struct conn angle.ptnr1 label comp id: ASN
pdbx struct conn angle.ptnr1 label seq id: 170
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: A
pdbx struct conn angle.ptnr2 auth comp id: MG
pdbx struct conn angle.ptnr2 auth seq id: 301
pdbx struct conn angle.ptnr2 label asym id: B
pdbx struct conn angle.ptnr2 label atom id: MG
pdbx struct conn angle.ptnr2 label comp id: MG
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: 76T
pdbx struct conn angle.ptnr3 auth seq id: 306
pdbx struct conn angle.ptnr3 label asym id: G
pdbx struct conn angle.ptnr3 label atom id: O22
pdbx struct conn angle.ptnr3 label comp id: 76T
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 83.1

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_conn_angle/7
type: pdbx struct conn angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct conn angle.id: 7
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: ASP
pdbx struct conn angle.ptnr1 auth seq id: 141
pdbx struct conn angle.ptnr1 label asym id: A
pdbx struct conn angle.ptnr1 label atom id: OD1
pdbx struct conn angle.ptnr1 label comp id: ASP
pdbx struct conn angle.ptnr1 label seq id: 141
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: A
pdbx struct conn angle.ptnr2 auth comp id: MG
pdbx struct conn angle.ptnr2 auth seq id: 301
pdbx struct conn angle.ptnr2 label asym id: B
pdbx struct conn angle.ptnr2 label atom id: MG
pdbx struct conn angle.ptnr2 label comp id: MG
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: 76T
pdbx struct conn angle.ptnr3 auth seq id: 306
pdbx struct conn angle.ptnr3 label asym id: G
pdbx struct conn angle.ptnr3 label atom id: O24
pdbx struct conn angle.ptnr3 label comp id: 76T
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 165.4

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_conn_angle/8
type: pdbx struct conn angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct conn angle.id: 8
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: ASP
pdbx struct conn angle.ptnr1 auth seq id: 169
pdbx struct conn angle.ptnr1 label asym id: A
pdbx struct conn angle.ptnr1 label atom id: OD2
pdbx struct conn angle.ptnr1 label comp id: ASP
pdbx struct conn angle.ptnr1 label seq id: 169
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: A
pdbx struct conn angle.ptnr2 auth comp id: MG
pdbx struct conn angle.ptnr2 auth seq id: 301
pdbx struct conn angle.ptnr2 label asym id: B
pdbx struct conn angle.ptnr2 label atom id: MG
pdbx struct conn angle.ptnr2 label comp id: MG
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: 76T
pdbx struct conn angle.ptnr3 auth seq id: 306
pdbx struct conn angle.ptnr3 label asym id: G
pdbx struct conn angle.ptnr3 label atom id: O24
pdbx struct conn angle.ptnr3 label comp id: 76T
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 101.9

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_conn_angle/9
type: pdbx struct conn angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct conn angle.id: 9
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: ASN
pdbx struct conn angle.ptnr1 auth seq id: 170
pdbx struct conn angle.ptnr1 label asym id: A
pdbx struct conn angle.ptnr1 label atom id: OD1
pdbx struct conn angle.ptnr1 label comp id: ASN
pdbx struct conn angle.ptnr1 label seq id: 170
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: A
pdbx struct conn angle.ptnr2 auth comp id: MG
pdbx struct conn angle.ptnr2 auth seq id: 301
pdbx struct conn angle.ptnr2 label asym id: B
pdbx struct conn angle.ptnr2 label atom id: MG
pdbx struct conn angle.ptnr2 label comp id: MG
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: 76T
pdbx struct conn angle.ptnr3 auth seq id: 306
pdbx struct conn angle.ptnr3 label asym id: G
pdbx struct conn angle.ptnr3 label atom id: O24
pdbx struct conn angle.ptnr3 label comp id: 76T
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 87.5

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_conn_angle/10
type: pdbx struct conn angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct conn angle.id: 10
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: 76T
pdbx struct conn angle.ptnr1 auth seq id: 306
pdbx struct conn angle.ptnr1 label asym id: G
pdbx struct conn angle.ptnr1 label atom id: O22
pdbx struct conn angle.ptnr1 label comp id: 76T
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: A
pdbx struct conn angle.ptnr2 auth comp id: MG
pdbx struct conn angle.ptnr2 auth seq id: 301
pdbx struct conn angle.ptnr2 label asym id: B
pdbx struct conn angle.ptnr2 label atom id: MG
pdbx struct conn angle.ptnr2 label comp id: MG
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: 76T
pdbx struct conn angle.ptnr3 auth seq id: 306
pdbx struct conn angle.ptnr3 label asym id: G
pdbx struct conn angle.ptnr3 label atom id: O24
pdbx struct conn angle.ptnr3 label comp id: 76T
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 78.8

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_conn_angle/11
type: pdbx struct conn angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct conn angle.id: 11
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: ASP
pdbx struct conn angle.ptnr1 auth seq id: 141
pdbx struct conn angle.ptnr1 label asym id: A
pdbx struct conn angle.ptnr1 label atom id: OD1
pdbx struct conn angle.ptnr1 label comp id: ASP
pdbx struct conn angle.ptnr1 label seq id: 141
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: A
pdbx struct conn angle.ptnr2 auth comp id: MG
pdbx struct conn angle.ptnr2 auth seq id: 301
pdbx struct conn angle.ptnr2 label asym id: B
pdbx struct conn angle.ptnr2 label atom id: MG
pdbx struct conn angle.ptnr2 label comp id: MG
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: HOH
pdbx struct conn angle.ptnr3 auth seq id: 421
pdbx struct conn angle.ptnr3 label asym id: I
pdbx struct conn angle.ptnr3 label atom id: O
pdbx struct conn angle.ptnr3 label comp id: HOH
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 91.6

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_conn_angle/12
type: pdbx struct conn angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct conn angle.id: 12
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: ASP
pdbx struct conn angle.ptnr1 auth seq id: 169
pdbx struct conn angle.ptnr1 label asym id: A
pdbx struct conn angle.ptnr1 label atom id: OD2
pdbx struct conn angle.ptnr1 label comp id: ASP
pdbx struct conn angle.ptnr1 label seq id: 169
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: A
pdbx struct conn angle.ptnr2 auth comp id: MG
pdbx struct conn angle.ptnr2 auth seq id: 301
pdbx struct conn angle.ptnr2 label asym id: B
pdbx struct conn angle.ptnr2 label atom id: MG
pdbx struct conn angle.ptnr2 label comp id: MG
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: HOH
pdbx struct conn angle.ptnr3 auth seq id: 421
pdbx struct conn angle.ptnr3 label asym id: I
pdbx struct conn angle.ptnr3 label atom id: O
pdbx struct conn angle.ptnr3 label comp id: HOH
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 90

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_conn_angle/13
type: pdbx struct conn angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct conn angle.id: 13
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: ASN
pdbx struct conn angle.ptnr1 auth seq id: 170
pdbx struct conn angle.ptnr1 label asym id: A
pdbx struct conn angle.ptnr1 label atom id: OD1
pdbx struct conn angle.ptnr1 label comp id: ASN
pdbx struct conn angle.ptnr1 label seq id: 170
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: A
pdbx struct conn angle.ptnr2 auth comp id: MG
pdbx struct conn angle.ptnr2 auth seq id: 301
pdbx struct conn angle.ptnr2 label asym id: B
pdbx struct conn angle.ptnr2 label atom id: MG
pdbx struct conn angle.ptnr2 label comp id: MG
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: HOH
pdbx struct conn angle.ptnr3 auth seq id: 421
pdbx struct conn angle.ptnr3 label asym id: I
pdbx struct conn angle.ptnr3 label atom id: O
pdbx struct conn angle.ptnr3 label comp id: HOH
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 171.2

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_conn_angle/14
type: pdbx struct conn angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct conn angle.id: 14
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: 76T
pdbx struct conn angle.ptnr1 auth seq id: 306
pdbx struct conn angle.ptnr1 label asym id: G
pdbx struct conn angle.ptnr1 label atom id: O22
pdbx struct conn angle.ptnr1 label comp id: 76T
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: A
pdbx struct conn angle.ptnr2 auth comp id: MG
pdbx struct conn angle.ptnr2 auth seq id: 301
pdbx struct conn angle.ptnr2 label asym id: B
pdbx struct conn angle.ptnr2 label atom id: MG
pdbx struct conn angle.ptnr2 label comp id: MG
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: HOH
pdbx struct conn angle.ptnr3 auth seq id: 421
pdbx struct conn angle.ptnr3 label asym id: I
pdbx struct conn angle.ptnr3 label atom id: O
pdbx struct conn angle.ptnr3 label comp id: HOH
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 103.9

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_conn_angle/15
type: pdbx struct conn angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct conn angle.id: 15
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: 76T
pdbx struct conn angle.ptnr1 auth seq id: 306
pdbx struct conn angle.ptnr1 label asym id: G
pdbx struct conn angle.ptnr1 label atom id: O24
pdbx struct conn angle.ptnr1 label comp id: 76T
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: A
pdbx struct conn angle.ptnr2 auth comp id: MG
pdbx struct conn angle.ptnr2 auth seq id: 301
pdbx struct conn angle.ptnr2 label asym id: B
pdbx struct conn angle.ptnr2 label atom id: MG
pdbx struct conn angle.ptnr2 label comp id: MG
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: HOH
pdbx struct conn angle.ptnr3 auth seq id: 421
pdbx struct conn angle.ptnr3 label asym id: I
pdbx struct conn angle.ptnr3 label atom id: O
pdbx struct conn angle.ptnr3 label comp id: HOH
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 88.6

http://rdf.wwpdb.org/pdb/5P94/pdbx_struct_oper_list/1
type: pdbx struct oper list
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx struct oper list.id: 1
pdbx struct oper list.matrix11: 1
pdbx struct oper list.matrix12: 0
pdbx struct oper list.matrix13: 0
pdbx struct oper list.matrix21: 0
pdbx struct oper list.matrix22: 1
pdbx struct oper list.matrix23: 0
pdbx struct oper list.matrix31: 0
pdbx struct oper list.matrix32: 0
pdbx struct oper list.matrix33: 1
pdbx struct oper list.name: 1_555
pdbx struct oper list.symmetry operation: x,y,z
pdbx struct oper list.type: identity operation
pdbx struct oper list.vector1: 0
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 0

1,2,AA1
type: pdbx struct sheet hbond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
pdbx struct sheet hbond.range id 1: 1
pdbx struct sheet hbond.range id 2: 2
pdbx struct sheet hbond.sheet id: AA1
pdbx struct sheet hbond.range 1 auth asym id: A
pdbx struct sheet hbond.range 1 auth atom id: O
pdbx struct sheet hbond.range 1 auth comp id: LEU
pdbx struct sheet hbond.range 1 auth seq id: 115
pdbx struct sheet hbond.range 1 label asym id: A
pdbx struct sheet hbond.range 1 label atom id: O
pdbx struct sheet hbond.range 1 label comp id: LEU
pdbx struct sheet hbond.range 1 label seq id: 115
pdbx struct sheet hbond.range 2 auth asym id: A
pdbx struct sheet hbond.range 2 auth atom id: N
pdbx struct sheet hbond.range 2 auth comp id: THR
pdbx struct sheet hbond.range 2 auth seq id: 88
pdbx struct sheet hbond.range 2 label asym id: A
pdbx struct sheet hbond.range 2 label atom id: N
pdbx struct sheet hbond.range 2 label comp id: THR
pdbx struct sheet hbond.range 2 label seq id: 88

AA1
referenced by pdbx struct sheet hbond: 1,2,AA1
referenced by pdbx struct sheet hbond: 2,3,AA1
referenced by pdbx struct sheet hbond: 3,4,AA1
referenced by pdbx struct sheet hbond: 4,5,AA1
referenced by pdbx struct sheet hbond: 5,6,AA1
referenced by pdbx struct sheet hbond: 6,7,AA1
type: struct sheet
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
struct sheet.id: AA1
struct sheet.number strands: 7
referenced by struct sheet order: 6,7,AA1
referenced by struct sheet range: 7,AA1
referenced by struct sheet order: 1,2,AA1
referenced by struct sheet order: 2,3,AA1
referenced by struct sheet order: 3,4,AA1
referenced by struct sheet order: 4,5,AA1
referenced by struct sheet order: 5,6,AA1
referenced by struct sheet range: 1,AA1
referenced by struct sheet range: 2,AA1
referenced by struct sheet range: 3,AA1
referenced by struct sheet range: 4,AA1
referenced by struct sheet range: 5,AA1
referenced by struct sheet range: 6,AA1

2,3,AA1
type: pdbx struct sheet hbond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
pdbx struct sheet hbond.range id 1: 2
pdbx struct sheet hbond.range id 2: 3
pdbx struct sheet hbond.sheet id: AA1
pdbx struct sheet hbond.range 1 auth asym id: A
pdbx struct sheet hbond.range 1 auth atom id: O
pdbx struct sheet hbond.range 1 auth comp id: LEU
pdbx struct sheet hbond.range 1 auth seq id: 87
pdbx struct sheet hbond.range 1 label asym id: A
pdbx struct sheet hbond.range 1 label atom id: O
pdbx struct sheet hbond.range 1 label comp id: LEU
pdbx struct sheet hbond.range 1 label seq id: 87
pdbx struct sheet hbond.range 2 auth asym id: A
pdbx struct sheet hbond.range 2 auth atom id: N
pdbx struct sheet hbond.range 2 auth comp id: VAL
pdbx struct sheet hbond.range 2 auth seq id: 62
pdbx struct sheet hbond.range 2 label asym id: A
pdbx struct sheet hbond.range 2 label atom id: N
pdbx struct sheet hbond.range 2 label comp id: VAL
pdbx struct sheet hbond.range 2 label seq id: 62

3,4,AA1
type: pdbx struct sheet hbond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
pdbx struct sheet hbond.range id 1: 3
pdbx struct sheet hbond.range id 2: 4
pdbx struct sheet hbond.sheet id: AA1
pdbx struct sheet hbond.range 1 auth asym id: A
pdbx struct sheet hbond.range 1 auth atom id: N
pdbx struct sheet hbond.range 1 auth comp id: LEU
pdbx struct sheet hbond.range 1 auth seq id: 65
pdbx struct sheet hbond.range 1 label asym id: A
pdbx struct sheet hbond.range 1 label atom id: N
pdbx struct sheet hbond.range 1 label comp id: LEU
pdbx struct sheet hbond.range 1 label seq id: 65
pdbx struct sheet hbond.range 2 auth asym id: A
pdbx struct sheet hbond.range 2 auth atom id: O
pdbx struct sheet hbond.range 2 auth comp id: PHE
pdbx struct sheet hbond.range 2 auth seq id: 139
pdbx struct sheet hbond.range 2 label asym id: A
pdbx struct sheet hbond.range 2 label atom id: O
pdbx struct sheet hbond.range 2 label comp id: PHE
pdbx struct sheet hbond.range 2 label seq id: 139

4,5,AA1
type: pdbx struct sheet hbond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
pdbx struct sheet hbond.range id 1: 4
pdbx struct sheet hbond.range id 2: 5
pdbx struct sheet hbond.sheet id: AA1
pdbx struct sheet hbond.range 1 auth asym id: A
pdbx struct sheet hbond.range 1 auth atom id: N
pdbx struct sheet hbond.range 1 auth comp id: VAL
pdbx struct sheet hbond.range 1 auth seq id: 138
pdbx struct sheet hbond.range 1 label asym id: A
pdbx struct sheet hbond.range 1 label atom id: N
pdbx struct sheet hbond.range 1 label comp id: VAL
pdbx struct sheet hbond.range 1 label seq id: 138
pdbx struct sheet hbond.range 2 auth asym id: A
pdbx struct sheet hbond.range 2 auth atom id: O
pdbx struct sheet hbond.range 2 auth comp id: VAL
pdbx struct sheet hbond.range 2 auth seq id: 165
pdbx struct sheet hbond.range 2 label asym id: A
pdbx struct sheet hbond.range 2 label atom id: O
pdbx struct sheet hbond.range 2 label comp id: VAL
pdbx struct sheet hbond.range 2 label seq id: 165

5,6,AA1
type: pdbx struct sheet hbond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
pdbx struct sheet hbond.range id 1: 5
pdbx struct sheet hbond.range id 2: 6
pdbx struct sheet hbond.sheet id: AA1
pdbx struct sheet hbond.range 1 auth asym id: A
pdbx struct sheet hbond.range 1 auth atom id: N
pdbx struct sheet hbond.range 1 auth comp id: LEU
pdbx struct sheet hbond.range 1 auth seq id: 166
pdbx struct sheet hbond.range 1 label asym id: A
pdbx struct sheet hbond.range 1 label atom id: N
pdbx struct sheet hbond.range 1 label comp id: LEU
pdbx struct sheet hbond.range 1 label seq id: 166
pdbx struct sheet hbond.range 2 auth asym id: A
pdbx struct sheet hbond.range 2 auth atom id: O
pdbx struct sheet hbond.range 2 auth comp id: ALA
pdbx struct sheet hbond.range 2 auth seq id: 210
pdbx struct sheet hbond.range 2 label asym id: A
pdbx struct sheet hbond.range 2 label atom id: O
pdbx struct sheet hbond.range 2 label comp id: ALA
pdbx struct sheet hbond.range 2 label seq id: 210

6,7,AA1
type: pdbx struct sheet hbond
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
pdbx struct sheet hbond.range id 1: 6
pdbx struct sheet hbond.range id 2: 7
pdbx struct sheet hbond.sheet id: AA1
pdbx struct sheet hbond.range 1 auth asym id: A
pdbx struct sheet hbond.range 1 auth atom id: O
pdbx struct sheet hbond.range 1 auth comp id: LYS
pdbx struct sheet hbond.range 1 auth seq id: 209
pdbx struct sheet hbond.range 1 label asym id: A
pdbx struct sheet hbond.range 1 label atom id: O
pdbx struct sheet hbond.range 1 label comp id: LYS
pdbx struct sheet hbond.range 1 label seq id: 209
pdbx struct sheet hbond.range 2 auth asym id: A
pdbx struct sheet hbond.range 2 auth atom id: N
pdbx struct sheet hbond.range 2 auth comp id: THR
pdbx struct sheet hbond.range 2 auth seq id: 192
pdbx struct sheet hbond.range 2 label asym id: A
pdbx struct sheet hbond.range 2 label atom id: N
pdbx struct sheet hbond.range 2 label comp id: THR
pdbx struct sheet hbond.range 2 label seq id: 192

http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/1
type: pdbx unobs or zero occ residues
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: MET
pdbx unobs or zero occ residues.id: 1
pdbx unobs or zero occ residues.pdb model num: 1
pdbx unobs or zero occ residues.auth asym id: A
pdbx unobs or zero occ residues.auth comp id: MET
pdbx unobs or zero occ residues.auth seq id: 1
pdbx unobs or zero occ residues.label asym id: A
pdbx unobs or zero occ residues.label comp id: MET
pdbx unobs or zero occ residues.label seq id: 1
pdbx unobs or zero occ residues.occupancy flag: 1
pdbx unobs or zero occ residues.polymer flag: Y

http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/2
type: pdbx unobs or zero occ residues
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: GLY
pdbx unobs or zero occ residues.id: 2
pdbx unobs or zero occ residues.pdb model num: 1
pdbx unobs or zero occ residues.auth asym id: A
pdbx unobs or zero occ residues.auth comp id: GLY
pdbx unobs or zero occ residues.auth seq id: 2
pdbx unobs or zero occ residues.label asym id: A
pdbx unobs or zero occ residues.label comp id: GLY
pdbx unobs or zero occ residues.label seq id: 2
pdbx unobs or zero occ residues.occupancy flag: 1
pdbx unobs or zero occ residues.polymer flag: Y

http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/3
type: pdbx unobs or zero occ residues
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
pdbx unobs or zero occ residues.id: 3
pdbx unobs or zero occ residues.pdb model num: 1
pdbx unobs or zero occ residues.auth asym id: A
pdbx unobs or zero occ residues.auth comp id: SER
pdbx unobs or zero occ residues.auth seq id: 216
pdbx unobs or zero occ residues.label asym id: A
pdbx unobs or zero occ residues.label comp id: SER
pdbx unobs or zero occ residues.label seq id: 216
pdbx unobs or zero occ residues.occupancy flag: 1
pdbx unobs or zero occ residues.polymer flag: Y

http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/4
type: pdbx unobs or zero occ residues
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
pdbx unobs or zero occ residues.id: 4
pdbx unobs or zero occ residues.pdb model num: 1
pdbx unobs or zero occ residues.auth asym id: A
pdbx unobs or zero occ residues.auth comp id: SER
pdbx unobs or zero occ residues.auth seq id: 217
pdbx unobs or zero occ residues.label asym id: A
pdbx unobs or zero occ residues.label comp id: SER
pdbx unobs or zero occ residues.label seq id: 217
pdbx unobs or zero occ residues.occupancy flag: 1
pdbx unobs or zero occ residues.polymer flag: Y

http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/5
type: pdbx unobs or zero occ residues
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: PRO
pdbx unobs or zero occ residues.id: 5
pdbx unobs or zero occ residues.pdb model num: 1
pdbx unobs or zero occ residues.auth asym id: A
pdbx unobs or zero occ residues.auth comp id: PRO
pdbx unobs or zero occ residues.auth seq id: 218
pdbx unobs or zero occ residues.label asym id: A
pdbx unobs or zero occ residues.label comp id: PRO
pdbx unobs or zero occ residues.label seq id: 218
pdbx unobs or zero occ residues.occupancy flag: 1
pdbx unobs or zero occ residues.polymer flag: Y

http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/6
type: pdbx unobs or zero occ residues
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: ASP
pdbx unobs or zero occ residues.id: 6
pdbx unobs or zero occ residues.pdb model num: 1
pdbx unobs or zero occ residues.auth asym id: A
pdbx unobs or zero occ residues.auth comp id: ASP
pdbx unobs or zero occ residues.auth seq id: 219
pdbx unobs or zero occ residues.label asym id: A
pdbx unobs or zero occ residues.label comp id: ASP
pdbx unobs or zero occ residues.label seq id: 219
pdbx unobs or zero occ residues.occupancy flag: 1
pdbx unobs or zero occ residues.polymer flag: Y

http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/7
type: pdbx unobs or zero occ residues
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: LYS
pdbx unobs or zero occ residues.id: 7
pdbx unobs or zero occ residues.pdb model num: 1
pdbx unobs or zero occ residues.auth asym id: A
pdbx unobs or zero occ residues.auth comp id: LYS
pdbx unobs or zero occ residues.auth seq id: 220
pdbx unobs or zero occ residues.label asym id: A
pdbx unobs or zero occ residues.label comp id: LYS
pdbx unobs or zero occ residues.label seq id: 220
pdbx unobs or zero occ residues.occupancy flag: 1
pdbx unobs or zero occ residues.polymer flag: Y

http://rdf.wwpdb.org/pdb/5P94/pdbx_unobs_or_zero_occ_residues/8
type: pdbx unobs or zero occ residues
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to chem comp: SER
pdbx unobs or zero occ residues.id: 8
pdbx unobs or zero occ residues.pdb model num: 1
pdbx unobs or zero occ residues.auth asym id: A
pdbx unobs or zero occ residues.auth comp id: SER
pdbx unobs or zero occ residues.auth seq id: 221
pdbx unobs or zero occ residues.label asym id: A
pdbx unobs or zero occ residues.label comp id: SER
pdbx unobs or zero occ residues.label seq id: 221
pdbx unobs or zero occ residues.occupancy flag: 1
pdbx unobs or zero occ residues.polymer flag: Y

http://rdf.wwpdb.org/pdb/5P94/pdbx_validate_close_contact/1
type: pdbx validate close contact
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx validate close contact.id: 1
pdbx validate close contact.pdb model num: 1
pdbx validate close contact.auth asym id 1: A
pdbx validate close contact.auth asym id 2: A
pdbx validate close contact.auth atom id 1: O
pdbx validate close contact.auth atom id 2: O
pdbx validate close contact.auth comp id 1: HOH
pdbx validate close contact.auth comp id 2: HOH
pdbx validate close contact.auth seq id 1: 561
pdbx validate close contact.auth seq id 2: 573
pdbx validate close contact.dist: 1.71

http://rdf.wwpdb.org/pdb/5P94/pdbx_validate_close_contact/2
type: pdbx validate close contact
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx validate close contact.id: 2
pdbx validate close contact.pdb model num: 1
pdbx validate close contact.auth asym id 1: A
pdbx validate close contact.auth asym id 2: A
pdbx validate close contact.auth atom id 1: OE2
pdbx validate close contact.auth atom id 2: OG
pdbx validate close contact.auth comp id 1: GLU
pdbx validate close contact.auth comp id 2: SER
pdbx validate close contact.auth seq id 1: 64
pdbx validate close contact.auth seq id 2: 72
pdbx validate close contact.dist: 2.04
pdbx validate close contact.label alt id 2: A

http://rdf.wwpdb.org/pdb/5P94/pdbx_validate_close_contact/3
type: pdbx validate close contact
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx validate close contact.id: 3
pdbx validate close contact.pdb model num: 1
pdbx validate close contact.auth asym id 1: A
pdbx validate close contact.auth asym id 2: A
pdbx validate close contact.auth atom id 1: O
pdbx validate close contact.auth atom id 2: O
pdbx validate close contact.auth comp id 1: GLY
pdbx validate close contact.auth comp id 2: HOH
pdbx validate close contact.auth seq id 1: 66
pdbx validate close contact.auth seq id 2: 401
pdbx validate close contact.dist: 2.14
pdbx validate close contact.label alt id 1: A

http://rdf.wwpdb.org/pdb/5P94/pdbx_validate_close_contact/4
type: pdbx validate close contact
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx validate close contact.id: 4
pdbx validate close contact.pdb model num: 1
pdbx validate close contact.auth asym id 1: A
pdbx validate close contact.auth asym id 2: A
pdbx validate close contact.auth atom id 1: O
pdbx validate close contact.auth atom id 2: O
pdbx validate close contact.auth comp id 1: HOH
pdbx validate close contact.auth comp id 2: HOH
pdbx validate close contact.auth seq id 1: 574
pdbx validate close contact.auth seq id 2: 644
pdbx validate close contact.dist: 2.17

http://rdf.wwpdb.org/pdb/5P94/pdbx_validate_close_contact/5
type: pdbx validate close contact
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx validate close contact.id: 5
pdbx validate close contact.pdb model num: 1
pdbx validate close contact.auth asym id 1: A
pdbx validate close contact.auth asym id 2: A
pdbx validate close contact.auth atom id 1: OD1
pdbx validate close contact.auth atom id 2: O
pdbx validate close contact.auth comp id 1: ASP
pdbx validate close contact.auth comp id 2: HOH
pdbx validate close contact.auth seq id 1: 44
pdbx validate close contact.auth seq id 2: 402
pdbx validate close contact.dist: 2.18

http://rdf.wwpdb.org/pdb/5P94/pdbx_validate_rmsd_angle/1
type: pdbx validate rmsd angle
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx validate rmsd angle.id: 1
pdbx validate rmsd angle.pdb model num: 1
pdbx validate rmsd angle.angle deviation: -3.63
pdbx validate rmsd angle.angle standard deviation: 0.5
pdbx validate rmsd angle.angle target value: 120.3
pdbx validate rmsd angle.angle value: 116.67
pdbx validate rmsd angle.auth asym id 1: A
pdbx validate rmsd angle.auth asym id 2: A
pdbx validate rmsd angle.auth asym id 3: A
pdbx validate rmsd angle.auth atom id 1: NE
pdbx validate rmsd angle.auth atom id 2: CZ
pdbx validate rmsd angle.auth atom id 3: NH1
pdbx validate rmsd angle.auth comp id 1: ARG
pdbx validate rmsd angle.auth comp id 2: ARG
pdbx validate rmsd angle.auth comp id 3: ARG
pdbx validate rmsd angle.auth seq id 1: 75
pdbx validate rmsd angle.auth seq id 2: 75
pdbx validate rmsd angle.auth seq id 3: 75
pdbx validate rmsd angle.label alt id 1: A
pdbx validate rmsd angle.label alt id 2: A
pdbx validate rmsd angle.label alt id 3: A
pdbx validate rmsd angle.linker flag: N

http://rdf.wwpdb.org/pdb/5P94/pdbx_validate_torsion/1
type: pdbx validate torsion
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx validate torsion.id: 1
pdbx validate torsion.pdb model num: 1
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MET
pdbx validate torsion.auth seq id: 40
pdbx validate torsion.phi: -80.81
pdbx validate torsion.psi: 40.88

http://rdf.wwpdb.org/pdb/5P94/pdbx_validate_torsion/2
type: pdbx validate torsion
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx validate torsion.id: 2
pdbx validate torsion.pdb model num: 1
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: SER
pdbx validate torsion.auth seq id: 58
pdbx validate torsion.phi: 37.27
pdbx validate torsion.psi: 59.23

http://rdf.wwpdb.org/pdb/5P94/pdbx_validate_torsion/3
type: pdbx validate torsion
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx validate torsion.id: 3
pdbx validate torsion.pdb model num: 1
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: TYR
pdbx validate torsion.auth seq id: 68
pdbx validate torsion.phi: 63.89
pdbx validate torsion.psi: -106.87

http://rdf.wwpdb.org/pdb/5P94/pdbx_validate_torsion/4
type: pdbx validate torsion
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx validate torsion.id: 4
pdbx validate torsion.pdb model num: 1
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: ASP
pdbx validate torsion.auth seq id: 133
pdbx validate torsion.phi: -95.79
pdbx validate torsion.psi: -80.47

http://rdf.wwpdb.org/pdb/5P94/pdbx_validate_torsion/5
type: pdbx validate torsion
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx validate torsion.id: 5
pdbx validate torsion.pdb model num: 1
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: ASP
pdbx validate torsion.auth seq id: 141
pdbx validate torsion.phi: -153.46
pdbx validate torsion.psi: 27.33

http://rdf.wwpdb.org/pdb/5P94/pdbx_validate_torsion/6
type: pdbx validate torsion
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx validate torsion.id: 6
pdbx validate torsion.pdb model num: 1
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: HIS
pdbx validate torsion.auth seq id: 142
pdbx validate torsion.phi: -101.6
pdbx validate torsion.psi: -153.96

http://rdf.wwpdb.org/pdb/5P94/pdbx_validate_torsion/7
type: pdbx validate torsion
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
pdbx validate torsion.id: 7
pdbx validate torsion.pdb model num: 1
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: SER
pdbx validate torsion.auth seq id: 196
pdbx validate torsion.phi: -153.45
pdbx validate torsion.psi: -143.93

5P94,X-RAY DIFFRACTION
type: refine
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entry: 5P94
refine.entry id: 5P94
refine.pdbx refine id: X-RAY DIFFRACTION
refine.b iso max: 51.31
refine.b iso mean: 9.933
refine.b iso min: 4.8
refine.aniso B11: 0.13
refine.aniso B12: 0
refine.aniso B13: 0
refine.aniso B22: 0.06
refine.aniso B23: 0
refine.aniso B33: -0.19
refine.correlation coeff fo to fc: 0.975
refine.correlation coeff fo to fc free: 0.965
refine.details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT U VALUES : REFINED INDIVIDUALLY
refine.ls r factor r free: 0.1568
refine.ls r factor r work: 0.1298
refine.ls r factor obs: 0.1311
refine.ls d res high: 1.2
refine.ls d res low: 40.32
refine.ls number reflns r free: 3231
refine.ls number reflns obs: 60319
refine.ls percent reflns r free: 5.1
refine.ls percent reflns obs: 91.72
refine.overall SU b: 1.003
refine.overall SU ML: 0.021
refine.pdbx r free selection details: RANDOM
refine.pdbx diffrn id: 1
refine.pdbx ls cross valid method: THROUGHOUT
refine.pdbx ls sigma f: 0
refine.pdbx method to determine struct: MOLECULAR REPLACEMENT
refine.pdbx overall ESU r: 0.036
refine.pdbx overall ESU r free: 0.037
refine.pdbx solvent ion probe radii: 0.8
refine.pdbx solvent shrinkage radii: 0.8
refine.pdbx solvent vdw probe radii: 1.2
refine.pdbx starting model: inhouse model
refine.pdbx stereochemistry target values: MAXIMUM LIKELIHOOD
refine.solvent model details: BABINET MODEL WITH MASK

final,X-RAY DIFFRACTION
type: refine hist
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine hist.cycle id: final
refine hist.pdbx refine id: X-RAY DIFFRACTION
refine hist.d res high: 1.2
refine hist.d res low: 40.32
refine hist.number atoms solvent: 266
refine hist.number atoms total: 2001
refine hist.pdbx b iso mean ligand: 13.81
refine hist.pdbx b iso mean solvent: 22.41
refine hist.pdbx number atoms ligand: 62
refine hist.pdbx number atoms nucleic acid: 0
refine hist.pdbx number atoms protein: 1673
refine hist.pdbx number residues total: 213

X-RAY DIFFRACTION,r bond refined d
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_bond_refined_d
refine ls restr.dev ideal: 0.016
refine ls restr.dev ideal target: 0.022
refine ls restr.number: 1852

X-RAY DIFFRACTION,r bond other d
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_bond_other_d
refine ls restr.dev ideal: 0.001
refine ls restr.dev ideal target: 0.02
refine ls restr.number: 1239

X-RAY DIFFRACTION,r angle refined deg
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_angle_refined_deg
refine ls restr.dev ideal: 1.754
refine ls restr.dev ideal target: 2.024
refine ls restr.number: 2534

X-RAY DIFFRACTION,r angle other deg
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_angle_other_deg
refine ls restr.dev ideal: 0.937
refine ls restr.dev ideal target: 3
refine ls restr.number: 3060

X-RAY DIFFRACTION,r dihedral angle 1 deg
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_dihedral_angle_1_deg
refine ls restr.dev ideal: 5.213
refine ls restr.dev ideal target: 5
refine ls restr.number: 242

X-RAY DIFFRACTION,r dihedral angle 2 deg
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_dihedral_angle_2_deg
refine ls restr.dev ideal: 39.229
refine ls restr.dev ideal target: 24.545
refine ls restr.number: 77

X-RAY DIFFRACTION,r dihedral angle 3 deg
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_dihedral_angle_3_deg
refine ls restr.dev ideal: 12.553
refine ls restr.dev ideal target: 15
refine ls restr.number: 333

X-RAY DIFFRACTION,r dihedral angle 4 deg
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_dihedral_angle_4_deg
refine ls restr.dev ideal: 16.879
refine ls restr.dev ideal target: 15
refine ls restr.number: 11

X-RAY DIFFRACTION,r chiral restr
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_chiral_restr
refine ls restr.dev ideal: 0.224
refine ls restr.dev ideal target: 0.2
refine ls restr.number: 285

X-RAY DIFFRACTION,r gen planes refined
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_gen_planes_refined
refine ls restr.dev ideal: 0.01
refine ls restr.dev ideal target: 0.021
refine ls restr.number: 2046

X-RAY DIFFRACTION,r gen planes other
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_gen_planes_other
refine ls restr.dev ideal: 0.002
refine ls restr.dev ideal target: 0.02
refine ls restr.number: 345

X-RAY DIFFRACTION,r mcbond it
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_mcbond_it
refine ls restr.dev ideal: 0.124
refine ls restr.dev ideal target: 0.2
refine ls restr.number: 11166

X-RAY DIFFRACTION,r mcbond other
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_mcbond_other
refine ls restr.dev ideal: 0.098
refine ls restr.dev ideal target: 0.2
refine ls restr.number: 20591

X-RAY DIFFRACTION,r rigid bond restr
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_rigid_bond_restr
refine ls restr.dev ideal: 16.927
refine ls restr.dev ideal target: 3
refine ls restr.number: 31757

X-RAY DIFFRACTION,r sphericity free
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_sphericity_free
refine ls restr.dev ideal: 9.69
refine ls restr.dev ideal target: 5
refine ls restr.number: 269

X-RAY DIFFRACTION,r sphericity bonded
type: refine ls restr
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_sphericity_bonded
refine ls restr.dev ideal: 5.269
refine ls restr.dev ideal target: 5
refine ls restr.number: 3043

1.2,X-RAY DIFFRACTION
type: refine ls shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
refine ls shell.d res high: 1.2
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.224
refine ls shell.r factor r work: 0.175
refine ls shell.d res low: 1.231
refine ls shell.number reflns r free: 209
refine ls shell.number reflns r work: 3959
refine ls shell.number reflns all: 4168
refine ls shell.pdbx total number of bins used: 20
refine ls shell.percent reflns obs: 82.37

http://rdf.wwpdb.org/pdb/5P94/reflns/1
type: reflns
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entry: 5P94
reflns.pdbx ordinal: 1
reflns.b iso wilson estimate: 14.203
reflns.d resolution high: 1.2
reflns.d resolution low: 40.32
reflns.entry id: 5P94
reflns.number obs: 68073
reflns.observed criterion sigma i: -3
reflns.pdbx CC half: 0.999
reflns.pdbx rmerge i obs: 0.055
reflns.pdbx rrim i all: 0.061
reflns.pdbx chi squared: 0.994
reflns.pdbx diffrn id: 1
reflns.pdbx net i over sigma i: 16.22
reflns.pdbx number measured all: 334657
reflns.pdbx redundancy: 4.92
reflns.percent possible obs: 98.2

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/1
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 1
reflns shell.rmerge i obs: 0.412
reflns shell.d res high: 1.2
reflns shell.d res low: 1.23
reflns shell.mean i over sig i obs: 3.45
reflns shell.number measured obs: 18033
reflns shell.number possible: 5066
reflns shell.number unique obs: 4671
reflns shell.pdbx CC half: 0.845
reflns shell.pdbx rrim i all: 0.472
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 92.2

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/2
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 2
reflns shell.rmerge i obs: 0.337
reflns shell.d res high: 1.23
reflns shell.d res low: 1.26
reflns shell.mean i over sig i obs: 4.76
reflns shell.number measured obs: 22749
reflns shell.number possible: 4928
reflns shell.number unique obs: 4825
reflns shell.pdbx CC half: 0.923
reflns shell.pdbx rrim i all: 0.377
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 97.9

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/3
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 3
reflns shell.rmerge i obs: 0.285
reflns shell.d res high: 1.26
reflns shell.d res low: 1.3
reflns shell.mean i over sig i obs: 5.62
reflns shell.number measured obs: 22463
reflns shell.number possible: 4791
reflns shell.number unique obs: 4698
reflns shell.pdbx CC half: 0.941
reflns shell.pdbx rrim i all: 0.318
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 98.1

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/4
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 4
reflns shell.rmerge i obs: 0.232
reflns shell.d res high: 1.3
reflns shell.d res low: 1.34
reflns shell.mean i over sig i obs: 6.56
reflns shell.number measured obs: 22590
reflns shell.number possible: 4654
reflns shell.number unique obs: 4606
reflns shell.pdbx CC half: 0.961
reflns shell.pdbx rrim i all: 0.259
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 99

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/5
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 5
reflns shell.rmerge i obs: 0.212
reflns shell.d res high: 1.34
reflns shell.d res low: 1.39
reflns shell.mean i over sig i obs: 7.43
reflns shell.number measured obs: 21928
reflns shell.number possible: 4535
reflns shell.number unique obs: 4463
reflns shell.pdbx CC half: 0.967
reflns shell.pdbx rrim i all: 0.237
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 98.4

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/6
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 6
reflns shell.rmerge i obs: 0.164
reflns shell.d res high: 1.39
reflns shell.d res low: 1.43
reflns shell.mean i over sig i obs: 9.04
reflns shell.number measured obs: 21926
reflns shell.number possible: 4370
reflns shell.number unique obs: 4336
reflns shell.pdbx CC half: 0.98
reflns shell.pdbx rrim i all: 0.182
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 99.2

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/7
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 7
reflns shell.rmerge i obs: 0.152
reflns shell.d res high: 1.43
reflns shell.d res low: 1.49
reflns shell.mean i over sig i obs: 10.59
reflns shell.number measured obs: 20656
reflns shell.number possible: 4230
reflns shell.number unique obs: 4152
reflns shell.pdbx CC half: 0.982
reflns shell.pdbx rrim i all: 0.169
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 98.2

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/8
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 8
reflns shell.rmerge i obs: 0.112
reflns shell.d res high: 1.49
reflns shell.d res low: 1.55
reflns shell.mean i over sig i obs: 12.99
reflns shell.number measured obs: 20404
reflns shell.number possible: 4083
reflns shell.number unique obs: 4049
reflns shell.pdbx CC half: 0.99
reflns shell.pdbx rrim i all: 0.124
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 99.2

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/9
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 9
reflns shell.rmerge i obs: 0.089
reflns shell.d res high: 1.55
reflns shell.d res low: 1.62
reflns shell.mean i over sig i obs: 15.51
reflns shell.number measured obs: 20314
reflns shell.number possible: 3921
reflns shell.number unique obs: 3913
reflns shell.pdbx CC half: 0.994
reflns shell.pdbx rrim i all: 0.099
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 99.8

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/10
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 10
reflns shell.rmerge i obs: 0.074
reflns shell.d res high: 1.62
reflns shell.d res low: 1.7
reflns shell.mean i over sig i obs: 18.05
reflns shell.number measured obs: 19556
reflns shell.number possible: 3754
reflns shell.number unique obs: 3752
reflns shell.pdbx CC half: 0.995
reflns shell.pdbx rrim i all: 0.082
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 99.9

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/11
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 11
reflns shell.rmerge i obs: 0.066
reflns shell.d res high: 1.7
reflns shell.d res low: 1.79
reflns shell.mean i over sig i obs: 20.23
reflns shell.number measured obs: 18690
reflns shell.number possible: 3591
reflns shell.number unique obs: 3583
reflns shell.pdbx CC half: 0.996
reflns shell.pdbx rrim i all: 0.074
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 99.8

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/12
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 12
reflns shell.rmerge i obs: 0.057
reflns shell.d res high: 1.79
reflns shell.d res low: 1.9
reflns shell.mean i over sig i obs: 23.15
reflns shell.number measured obs: 17227
reflns shell.number possible: 3373
reflns shell.number unique obs: 3349
reflns shell.pdbx CC half: 0.997
reflns shell.pdbx rrim i all: 0.064
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 99.3

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/13
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 13
reflns shell.rmerge i obs: 0.052
reflns shell.d res high: 1.9
reflns shell.d res low: 2.03
reflns shell.mean i over sig i obs: 26.25
reflns shell.number measured obs: 15456
reflns shell.number possible: 3206
reflns shell.number unique obs: 3145
reflns shell.pdbx CC half: 0.997
reflns shell.pdbx rrim i all: 0.058
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 98.1

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/14
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 14
reflns shell.rmerge i obs: 0.046
reflns shell.d res high: 2.03
reflns shell.d res low: 2.19
reflns shell.mean i over sig i obs: 29.39
reflns shell.number measured obs: 14899
reflns shell.number possible: 2976
reflns shell.number unique obs: 2947
reflns shell.pdbx CC half: 0.997
reflns shell.pdbx rrim i all: 0.051
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 99

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/15
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 15
reflns shell.rmerge i obs: 0.043
reflns shell.d res high: 2.19
reflns shell.d res low: 2.4
reflns shell.mean i over sig i obs: 30.91
reflns shell.number measured obs: 13558
reflns shell.number possible: 2753
reflns shell.number unique obs: 2716
reflns shell.pdbx CC half: 0.998
reflns shell.pdbx rrim i all: 0.048
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 98.7

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/16
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 16
reflns shell.rmerge i obs: 0.04
reflns shell.d res high: 2.4
reflns shell.d res low: 2.68
reflns shell.mean i over sig i obs: 32.83
reflns shell.number measured obs: 12789
reflns shell.number possible: 2501
reflns shell.number unique obs: 2496
reflns shell.pdbx CC half: 0.998
reflns shell.pdbx rrim i all: 0.044
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 99.8

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/17
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 17
reflns shell.rmerge i obs: 0.037
reflns shell.d res high: 2.68
reflns shell.d res low: 3.1
reflns shell.mean i over sig i obs: 34.63
reflns shell.number measured obs: 11383
reflns shell.number possible: 2237
reflns shell.number unique obs: 2223
reflns shell.pdbx CC half: 0.998
reflns shell.pdbx rrim i all: 0.041
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 99.4

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/18
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 18
reflns shell.rmerge i obs: 0.036
reflns shell.d res high: 3.1
reflns shell.d res low: 3.79
reflns shell.mean i over sig i obs: 36.36
reflns shell.number measured obs: 9364
reflns shell.number possible: 1909
reflns shell.number unique obs: 1877
reflns shell.pdbx CC half: 0.998
reflns shell.pdbx rrim i all: 0.04
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 98.3

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/19
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 19
reflns shell.rmerge i obs: 0.032
reflns shell.d res high: 3.79
reflns shell.d res low: 5.37
reflns shell.mean i over sig i obs: 36.28
reflns shell.number measured obs: 7022
reflns shell.number possible: 1512
reflns shell.number unique obs: 1465
reflns shell.pdbx CC half: 0.999
reflns shell.pdbx rrim i all: 0.035
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 96.9

http://rdf.wwpdb.org/pdb/5P94/reflns_shell/20
type: reflns shell
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reflns shell.pdbx ordinal: 20
reflns shell.rmerge i obs: 0.03
reflns shell.d res high: 5.37
reflns shell.d res low: 40.32
reflns shell.mean i over sig i obs: 34.3
reflns shell.number measured obs: 3650
reflns shell.number possible: 899
reflns shell.number unique obs: 807
reflns shell.pdbx CC half: 0.999
reflns shell.pdbx rrim i all: 0.034
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 89.8

http://rdf.wwpdb.org/pdb/5P94/software/1
type: software
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
software.pdbx ordinal: 1
software.classification: data scaling
software.contact author: Wolfgang Kabsch
software.location: http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xscale_program.html
software.name: XSCALE
software.type: package

http://rdf.wwpdb.org/pdb/5P94/software/2
type: software
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
software.pdbx ordinal: 2
software.classification: refinement
software.contact author: Garib N. Murshudov
software.contact author email: garib@ysbl.york.ac.uk
software.language: Fortran_77
software.location: http://www.ccp4.ac.uk/dist/html/refmac5.html
software.name: REFMAC
software.type: program
software.version: 5.6.0041

http://rdf.wwpdb.org/pdb/5P94/software/3
type: software
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
software.pdbx ordinal: 3
software.classification: data extraction
software.contact author: PDB
software.contact author email: deposit@deposit.rcsb.org
software.date: July. 13, 2016
software.language: C++
software.location: http://sw-tools.pdb.org/apps/PDB_EXTRACT/
software.name: PDB_EXTRACT
software.type: package
software.version: 3.22

http://rdf.wwpdb.org/pdb/5P94/software/4
type: software
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
software.pdbx ordinal: 4
software.classification: data reduction
software.name: XDS

http://rdf.wwpdb.org/pdb/5P94/software/5
type: software
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
software.pdbx ordinal: 5
software.classification: phasing
software.name: PHASER

5P94
type: struct
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entry: 5P94
struct.entry id: 5P94
struct.title: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A

http://rdf.wwpdb.org/pdb/5P94/struct_asym/B
type: struct asym
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/2
struct asym.id: B
struct asym.entity id: 2
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

http://rdf.wwpdb.org/pdb/5P94/struct_asym/C
type: struct asym
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/3
struct asym.id: C
struct asym.entity id: 3
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

http://rdf.wwpdb.org/pdb/5P94/struct_asym/D
type: struct asym
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/3
struct asym.id: D
struct asym.entity id: 3
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

http://rdf.wwpdb.org/pdb/5P94/struct_asym/E
type: struct asym
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/4
struct asym.id: E
struct asym.entity id: 4
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

http://rdf.wwpdb.org/pdb/5P94/struct_asym/F
type: struct asym
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/5
struct asym.id: F
struct asym.entity id: 5
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

http://rdf.wwpdb.org/pdb/5P94/struct_asym/G
type: struct asym
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/6
struct asym.id: G
struct asym.entity id: 6
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

http://rdf.wwpdb.org/pdb/5P94/struct_asym/H
type: struct asym
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/5
struct asym.id: H
struct asym.entity id: 5
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

http://rdf.wwpdb.org/pdb/5P94/struct_asym/I
type: struct asym
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/7
struct asym.id: I
struct asym.entity id: 7
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

HELX P1
type: struct conf
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conf type: HELX P
struct conf.id: HELX_P1
struct conf.beg auth asym id: A
struct conf.beg auth comp id: THR
struct conf.beg auth seq id: 4
struct conf.beg label asym id: A
struct conf.beg label comp id: THR
struct conf.beg label seq id: 4
struct conf.conf type id: HELX_P
struct conf.end auth asym id: A
struct conf.end auth comp id: ALA
struct conf.end auth seq id: 17
struct conf.end label asym id: A
struct conf.end label comp id: ALA
struct conf.end label seq id: 17
struct conf.pdbx PDB helix class: 1
struct conf.pdbx PDB helix id: AA1
struct conf.pdbx PDB helix length: 14

HELX P
referenced by struct conf: HELX P1
referenced by struct conf: HELX P2
referenced by struct conf: HELX P3
referenced by struct conf: HELX P4
referenced by struct conf: HELX P5
referenced by struct conf: HELX P6
referenced by struct conf: HELX P7
referenced by struct conf: HELX P8
referenced by struct conf: HELX P9
referenced by struct conf: HELX P10
type: struct conf type
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
struct conf type.id: HELX_P

HELX P2
type: struct conf
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conf type: HELX P
struct conf.id: HELX_P2
struct conf.beg auth asym id: A
struct conf.beg auth comp id: ASP
struct conf.beg auth seq id: 21
struct conf.beg label asym id: A
struct conf.beg label comp id: ASP
struct conf.beg label seq id: 21
struct conf.conf type id: HELX_P
struct conf.end auth asym id: A
struct conf.end auth comp id: LYS
struct conf.end auth seq id: 36
struct conf.end label asym id: A
struct conf.end label comp id: LYS
struct conf.end label seq id: 36
struct conf.pdbx PDB helix class: 1
struct conf.pdbx PDB helix id: AA2
struct conf.pdbx PDB helix length: 16

HELX P3
type: struct conf
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conf type: HELX P
struct conf.id: HELX_P3
struct conf.beg auth asym id: A
struct conf.beg auth comp id: VAL
struct conf.beg auth seq id: 42
struct conf.beg label asym id: A
struct conf.beg label comp id: VAL
struct conf.beg label seq id: 42
struct conf.conf type id: HELX_P
struct conf.end auth asym id: A
struct conf.end auth comp id: SER
struct conf.end auth seq id: 58
struct conf.end label asym id: A
struct conf.end label comp id: SER
struct conf.end label seq id: 58
struct conf.pdbx PDB helix class: 1
struct conf.pdbx PDB helix id: AA3
struct conf.pdbx PDB helix length: 17

HELX P4
type: struct conf
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conf type: HELX P
struct conf.id: HELX_P4
struct conf.beg auth asym id: A
struct conf.beg auth comp id: GLY
struct conf.beg auth seq id: 70
struct conf.beg label asym id: A
struct conf.beg label comp id: GLY
struct conf.beg label seq id: 70
struct conf.conf type id: HELX_P
struct conf.end auth asym id: A
struct conf.end auth comp id: ARG
struct conf.end auth seq id: 78
struct conf.end label asym id: A
struct conf.end label comp id: ARG
struct conf.end label seq id: 78
struct conf.pdbx PDB helix class: 1
struct conf.pdbx PDB helix id: AA4
struct conf.pdbx PDB helix length: 9

HELX P5
type: struct conf
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conf type: HELX P
struct conf.id: HELX_P5
struct conf.beg auth asym id: A
struct conf.beg auth comp id: ASN
struct conf.beg auth seq id: 92
struct conf.beg label asym id: A
struct conf.beg label comp id: ASN
struct conf.beg label seq id: 92
struct conf.conf type id: HELX_P
struct conf.end auth asym id: A
struct conf.end auth comp id: GLY
struct conf.end auth seq id: 107
struct conf.end label asym id: A
struct conf.end label comp id: GLY
struct conf.end label seq id: 107
struct conf.pdbx PDB helix class: 1
struct conf.pdbx PDB helix id: AA5
struct conf.pdbx PDB helix length: 16

HELX P6
type: struct conf
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conf type: HELX P
struct conf.id: HELX_P6
struct conf.beg auth asym id: A
struct conf.beg auth comp id: ALA
struct conf.beg auth seq id: 118
struct conf.beg label asym id: A
struct conf.beg label comp id: ALA
struct conf.beg label seq id: 118
struct conf.conf type id: HELX_P
struct conf.end auth asym id: A
struct conf.end auth comp id: ILE
struct conf.end auth seq id: 123
struct conf.end label asym id: A
struct conf.end label comp id: ILE
struct conf.end label seq id: 123
struct conf.pdbx PDB helix class: 1
struct conf.pdbx PDB helix id: AA6
struct conf.pdbx PDB helix length: 6

HELX P7
type: struct conf
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conf type: HELX P
struct conf.id: HELX_P7
struct conf.beg auth asym id: A
struct conf.beg auth comp id: GLN
struct conf.beg auth seq id: 125
struct conf.beg label asym id: A
struct conf.beg label comp id: GLN
struct conf.beg label seq id: 125
struct conf.conf type id: HELX_P
struct conf.end auth asym id: A
struct conf.end auth comp id: ASP
struct conf.end auth seq id: 131
struct conf.end label asym id: A
struct conf.end label comp id: ASP
struct conf.end label seq id: 131
struct conf.pdbx PDB helix class: 1
struct conf.pdbx PDB helix id: AA7
struct conf.pdbx PDB helix length: 7

HELX P8
type: struct conf
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conf type: HELX P
struct conf.id: HELX_P8
struct conf.beg auth asym id: A
struct conf.beg auth comp id: TRP
struct conf.beg auth seq id: 143
struct conf.beg label asym id: A
struct conf.beg label comp id: TRP
struct conf.beg label seq id: 143
struct conf.conf type id: HELX_P
struct conf.end auth asym id: A
struct conf.end auth comp id: ASP
struct conf.end auth seq id: 145
struct conf.end label asym id: A
struct conf.end label comp id: ASP
struct conf.end label seq id: 145
struct conf.pdbx PDB helix class: 5
struct conf.pdbx PDB helix id: AA8
struct conf.pdbx PDB helix length: 3

HELX P9
type: struct conf
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conf type: HELX P
struct conf.id: HELX_P9
struct conf.beg auth asym id: A
struct conf.beg auth comp id: ARG
struct conf.beg auth seq id: 146
struct conf.beg label asym id: A
struct conf.beg label comp id: ARG
struct conf.beg label seq id: 146
struct conf.conf type id: HELX_P
struct conf.end auth asym id: A
struct conf.end auth comp id: CYS
struct conf.end auth seq id: 157
struct conf.end label asym id: A
struct conf.end label comp id: CYS
struct conf.end label seq id: 157
struct conf.pdbx PDB helix class: 1
struct conf.pdbx PDB helix id: AA9
struct conf.pdbx PDB helix length: 12

HELX P10
type: struct conf
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conf type: HELX P
struct conf.id: HELX_P10
struct conf.beg auth asym id: A
struct conf.beg auth comp id: THR
struct conf.beg auth seq id: 176
struct conf.beg label asym id: A
struct conf.beg label comp id: THR
struct conf.beg label seq id: 176
struct conf.conf type id: HELX_P
struct conf.end auth asym id: A
struct conf.end auth comp id: SER
struct conf.end auth seq id: 186
struct conf.end label asym id: A
struct conf.end label comp id: SER
struct conf.end label seq id: 186
struct conf.pdbx PDB helix class: 1
struct conf.pdbx PDB helix id: AB1
struct conf.pdbx PDB helix length: 11

metalc1
type: struct conn
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conn type: metalc
struct conn.id: metalc1
struct conn.conn type id: metalc
struct conn.pdbx dist value: 2.059
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: ASP
struct conn.ptnr1 auth seq id: 141
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: OD1
struct conn.ptnr1 label comp id: ASP
struct conn.ptnr1 label seq id: 141
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: MG
struct conn.ptnr2 auth seq id: 301
struct conn.ptnr2 label asym id: B
struct conn.ptnr2 label atom id: MG
struct conn.ptnr2 label comp id: MG
struct conn.ptnr2 symmetry: 1_555

metalc
referenced by struct conn: metalc1
referenced by struct conn: metalc2
referenced by struct conn: metalc3
referenced by struct conn: metalc4
referenced by struct conn: metalc5
referenced by struct conn: metalc6
type: struct conn type
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
struct conn type.id: metalc

metalc2
type: struct conn
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conn type: metalc
struct conn.id: metalc2
struct conn.conn type id: metalc
struct conn.pdbx dist value: 2.034
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: ASP
struct conn.ptnr1 auth seq id: 169
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: OD2
struct conn.ptnr1 label comp id: ASP
struct conn.ptnr1 label seq id: 169
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: MG
struct conn.ptnr2 auth seq id: 301
struct conn.ptnr2 label asym id: B
struct conn.ptnr2 label atom id: MG
struct conn.ptnr2 label comp id: MG
struct conn.ptnr2 symmetry: 1_555

metalc3
type: struct conn
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conn type: metalc
struct conn.id: metalc3
struct conn.conn type id: metalc
struct conn.pdbx dist value: 2.143
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: ASN
struct conn.ptnr1 auth seq id: 170
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: OD1
struct conn.ptnr1 label comp id: ASN
struct conn.ptnr1 label seq id: 170
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: MG
struct conn.ptnr2 auth seq id: 301
struct conn.ptnr2 label asym id: B
struct conn.ptnr2 label atom id: MG
struct conn.ptnr2 label comp id: MG
struct conn.ptnr2 symmetry: 1_555

metalc4
type: struct conn
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conn type: metalc
struct conn.id: metalc4
struct conn.conn type id: metalc
struct conn.pdbx dist value: 2.132
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: MG
struct conn.ptnr1 auth seq id: 301
struct conn.ptnr1 label asym id: B
struct conn.ptnr1 label atom id: MG
struct conn.ptnr1 label comp id: MG
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: 76T
struct conn.ptnr2 auth seq id: 306
struct conn.ptnr2 label asym id: G
struct conn.ptnr2 label atom id: O22
struct conn.ptnr2 label comp id: 76T
struct conn.ptnr2 symmetry: 1_555

metalc5
type: struct conn
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conn type: metalc
struct conn.id: metalc5
struct conn.conn type id: metalc
struct conn.pdbx dist value: 2.099
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: MG
struct conn.ptnr1 auth seq id: 301
struct conn.ptnr1 label asym id: B
struct conn.ptnr1 label atom id: MG
struct conn.ptnr1 label comp id: MG
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: 76T
struct conn.ptnr2 auth seq id: 306
struct conn.ptnr2 label asym id: G
struct conn.ptnr2 label atom id: O24
struct conn.ptnr2 label comp id: 76T
struct conn.ptnr2 symmetry: 1_555

metalc6
type: struct conn
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct conn type: metalc
struct conn.id: metalc6
struct conn.conn type id: metalc
struct conn.pdbx dist value: 2.065
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: MG
struct conn.ptnr1 auth seq id: 301
struct conn.ptnr1 label asym id: B
struct conn.ptnr1 label atom id: MG
struct conn.ptnr1 label comp id: MG
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: HOH
struct conn.ptnr2 auth seq id: 421
struct conn.ptnr2 label asym id: I
struct conn.ptnr2 label atom id: O
struct conn.ptnr2 label comp id: HOH
struct conn.ptnr2 symmetry: 1_555

5P94
type: struct keywords
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entry: 5P94
struct keywords.entry id: 5P94
struct keywords.pdbx keywords: TRANSFERASE/TRANSFERASE inhibitor
struct keywords.text: METHYLTRANSFERASE, NEUROTRANSMITTER DEGRADATION, TRANSFERASE, TRANSFERASE-TRANSFERASE inhibitor complex

http://rdf.wwpdb.org/pdb/5P94/struct_mon_prot_cis/1
type: struct mon prot cis
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
struct mon prot cis.pdbx id: 1
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: VAL
struct mon prot cis.auth seq id: 173
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: VAL
struct mon prot cis.label seq id: 173
struct mon prot cis.pdbx PDB model num: 1
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: PRO
struct mon prot cis.pdbx auth seq id 2: 174
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: PRO
struct mon prot cis.pdbx label seq id 2: 174
struct mon prot cis.pdbx omega angle: -1.05

http://rdf.wwpdb.org/pdb/5P94/struct_ref/1
type: struct ref
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entity: http://rdf.wwpdb.org/pdb/5P94/entity/1
struct ref.id: 1
struct ref.db code: COMT_RAT
struct ref.db name: UNP
struct ref.entity id: 1
struct ref.pdbx align begin: 44
struct ref.pdbx db accession: P22734
struct ref.pdbx seq one letter code: MGDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLL QPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLL RKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGPSSPDKS
link to uniprot: uniprot:P22734
referenced by struct ref seq: http://rdf.wwpdb.org/pdb/5P94/struct_ref_seq/1

uniprot:P22734

http://rdf.wwpdb.org/pdb/5P94/struct_ref_seq/1
type: struct ref seq
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct ref: http://rdf.wwpdb.org/pdb/5P94/struct_ref/1
struct ref seq.align id: 1
struct ref seq.db align beg: 44
struct ref seq.db align end: 264
struct ref seq.pdbx PDB id code: 5P94
struct ref seq.pdbx auth seq align beg: 1
struct ref seq.pdbx auth seq align end: 221
struct ref seq.pdbx db accession: P22734
struct ref seq.pdbx strand id: A
struct ref seq.ref id: 1
struct ref seq.seq align beg: 1
struct ref seq.seq align end: 221
referenced by struct ref seq dif: http://rdf.wwpdb.org/pdb/5P94/struct_ref_seq_dif/2
referenced by struct ref seq dif: http://rdf.wwpdb.org/pdb/5P94/struct_ref_seq_dif/1

http://rdf.wwpdb.org/pdb/5P94/struct_ref_seq_dif/1
type: struct ref seq dif
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct ref seq: http://rdf.wwpdb.org/pdb/5P94/struct_ref_seq/1
struct ref seq dif.pdbx ordinal: 1
struct ref seq dif.align id: 1
struct ref seq dif.db mon id: MET
struct ref seq dif.details: engineered mutation
struct ref seq dif.mon id: ILE
struct ref seq dif.pdbx auth seq num: 91
struct ref seq dif.pdbx pdb id code: 5P94
struct ref seq dif.pdbx pdb strand id: A
struct ref seq dif.pdbx seq db accession code: P22734
struct ref seq dif.pdbx seq db name: UNP
struct ref seq dif.pdbx seq db seq num: 134
struct ref seq dif.seq num: 91

http://rdf.wwpdb.org/pdb/5P94/struct_ref_seq_dif/2
type: struct ref seq dif
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct ref seq: http://rdf.wwpdb.org/pdb/5P94/struct_ref_seq/1
struct ref seq dif.pdbx ordinal: 2
struct ref seq dif.align id: 1
struct ref seq dif.db mon id: TYR
struct ref seq dif.details: engineered mutation
struct ref seq dif.mon id: CYS
struct ref seq dif.pdbx auth seq num: 95
struct ref seq dif.pdbx pdb id code: 5P94
struct ref seq dif.pdbx pdb strand id: A
struct ref seq dif.pdbx seq db accession code: P22734
struct ref seq dif.pdbx seq db name: UNP
struct ref seq dif.pdbx seq db seq num: 138
struct ref seq dif.seq num: 95

1,2,AA1
type: struct sheet order
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
struct sheet order.range id 1: 1
struct sheet order.range id 2: 2
struct sheet order.sheet id: AA1
struct sheet order.sense: parallel

2,3,AA1
type: struct sheet order
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
struct sheet order.range id 1: 2
struct sheet order.range id 2: 3
struct sheet order.sheet id: AA1
struct sheet order.sense: parallel

3,4,AA1
type: struct sheet order
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
struct sheet order.range id 1: 3
struct sheet order.range id 2: 4
struct sheet order.sheet id: AA1
struct sheet order.sense: parallel

4,5,AA1
type: struct sheet order
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
struct sheet order.range id 1: 4
struct sheet order.range id 2: 5
struct sheet order.sheet id: AA1
struct sheet order.sense: parallel

5,6,AA1
type: struct sheet order
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
struct sheet order.range id 1: 5
struct sheet order.range id 2: 6
struct sheet order.sheet id: AA1
struct sheet order.sense: anti-parallel

6,7,AA1
type: struct sheet order
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
struct sheet order.range id 1: 6
struct sheet order.range id 2: 7
struct sheet order.sheet id: AA1
struct sheet order.sense: anti-parallel

1,AA1
type: struct sheet range
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
struct sheet range.id: 1
struct sheet range.sheet id: AA1
struct sheet range.beg auth asym id: A
struct sheet range.beg auth comp id: VAL
struct sheet range.beg auth seq id: 112
struct sheet range.beg label asym id: A
struct sheet range.beg label comp id: VAL
struct sheet range.beg label seq id: 112
struct sheet range.end auth asym id: A
struct sheet range.end auth comp id: ASN
struct sheet range.end auth seq id: 116
struct sheet range.end label asym id: A
struct sheet range.end label comp id: ASN
struct sheet range.end label seq id: 116

2,AA1
type: struct sheet range
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
struct sheet range.id: 2
struct sheet range.sheet id: AA1
struct sheet range.beg auth asym id: A
struct sheet range.beg auth comp id: ARG
struct sheet range.beg auth seq id: 85
struct sheet range.beg label asym id: A
struct sheet range.beg label comp id: ARG
struct sheet range.beg label seq id: 85
struct sheet range.end auth asym id: A
struct sheet range.end auth comp id: GLU
struct sheet range.end auth seq id: 90
struct sheet range.end label asym id: A
struct sheet range.end label comp id: GLU
struct sheet range.end label seq id: 90

3,AA1
type: struct sheet range
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
struct sheet range.id: 3
struct sheet range.sheet id: AA1
struct sheet range.beg auth asym id: A
struct sheet range.beg auth comp id: LEU
struct sheet range.beg auth seq id: 61
struct sheet range.beg label asym id: A
struct sheet range.beg label comp id: LEU
struct sheet range.beg label seq id: 61
struct sheet range.end auth asym id: A
struct sheet range.end auth comp id: LEU
struct sheet range.end auth seq id: 65
struct sheet range.end label asym id: A
struct sheet range.end label comp id: LEU
struct sheet range.end label seq id: 65

4,AA1
type: struct sheet range
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
struct sheet range.id: 4
struct sheet range.sheet id: AA1
struct sheet range.beg auth asym id: A
struct sheet range.beg auth comp id: MET
struct sheet range.beg auth seq id: 137
struct sheet range.beg label asym id: A
struct sheet range.beg label comp id: MET
struct sheet range.beg label seq id: 137
struct sheet range.end auth asym id: A
struct sheet range.end auth comp id: LEU
struct sheet range.end auth seq id: 140
struct sheet range.end label asym id: A
struct sheet range.end label comp id: LEU
struct sheet range.end label seq id: 140

5,AA1
type: struct sheet range
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
struct sheet range.id: 5
struct sheet range.sheet id: AA1
struct sheet range.beg auth asym id: A
struct sheet range.beg auth comp id: VAL
struct sheet range.beg auth seq id: 165
struct sheet range.beg label asym id: A
struct sheet range.beg label comp id: VAL
struct sheet range.beg label seq id: 165
struct sheet range.end auth asym id: A
struct sheet range.end auth comp id: ALA
struct sheet range.end auth seq id: 168
struct sheet range.end label asym id: A
struct sheet range.end label comp id: ALA
struct sheet range.end label seq id: 168

6,AA1
type: struct sheet range
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
struct sheet range.id: 6
struct sheet range.sheet id: AA1
struct sheet range.beg auth asym id: A
struct sheet range.beg auth comp id: VAL
struct sheet range.beg auth seq id: 204
struct sheet range.beg label asym id: A
struct sheet range.beg label comp id: VAL
struct sheet range.beg label seq id: 204
struct sheet range.end auth asym id: A
struct sheet range.end auth comp id: TYR
struct sheet range.end auth seq id: 212
struct sheet range.end label asym id: A
struct sheet range.end label comp id: TYR
struct sheet range.end label seq id: 212

7,AA1
type: struct sheet range
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct sheet: AA1
struct sheet range.id: 7
struct sheet range.sheet id: AA1
struct sheet range.beg auth asym id: A
struct sheet range.beg auth comp id: PHE
struct sheet range.beg auth seq id: 189
struct sheet range.beg label asym id: A
struct sheet range.beg label comp id: PHE
struct sheet range.beg label seq id: 189
struct sheet range.end auth asym id: A
struct sheet range.end auth comp id: TYR
struct sheet range.end auth seq id: 197
struct sheet range.end label asym id: A
struct sheet range.end label comp id: TYR
struct sheet range.end label seq id: 197

AC1
type: struct site
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
struct site.id: AC1
struct site.details: binding site for residue MG A 301
struct site.pdbx auth asym id: A
struct site.pdbx auth comp id: MG
struct site.pdbx auth seq id: 301
struct site.pdbx evidence code: Software
struct site.pdbx num residues: 5
referenced by struct site gen: 5,AC1
referenced by struct site gen: 1,AC1
referenced by struct site gen: 2,AC1
referenced by struct site gen: 3,AC1
referenced by struct site gen: 4,AC1

AC2
type: struct site
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
struct site.id: AC2
struct site.details: binding site for residue CL A 302
struct site.pdbx auth asym id: A
struct site.pdbx auth comp id: CL
struct site.pdbx auth seq id: 302
struct site.pdbx evidence code: Software
struct site.pdbx num residues: 5
referenced by struct site gen: 10,AC2
referenced by struct site gen: 6,AC2
referenced by struct site gen: 7,AC2
referenced by struct site gen: 8,AC2
referenced by struct site gen: 9,AC2

AC3
type: struct site
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
struct site.id: AC3
struct site.details: binding site for residue CL A 303
struct site.pdbx auth asym id: A
struct site.pdbx auth comp id: CL
struct site.pdbx auth seq id: 303
struct site.pdbx evidence code: Software
struct site.pdbx num residues: 4
referenced by struct site gen: 14,AC3
referenced by struct site gen: 11,AC3
referenced by struct site gen: 12,AC3
referenced by struct site gen: 13,AC3

AC4
type: struct site
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
struct site.id: AC4
struct site.details: binding site for residue NHE A 304
struct site.pdbx auth asym id: A
struct site.pdbx auth comp id: NHE
struct site.pdbx auth seq id: 304
struct site.pdbx evidence code: Software
struct site.pdbx num residues: 10
referenced by struct site gen: 24,AC4
referenced by struct site gen: 15,AC4
referenced by struct site gen: 16,AC4
referenced by struct site gen: 17,AC4
referenced by struct site gen: 18,AC4
referenced by struct site gen: 19,AC4
referenced by struct site gen: 20,AC4
referenced by struct site gen: 21,AC4
referenced by struct site gen: 22,AC4
referenced by struct site gen: 23,AC4

AC5
type: struct site
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
struct site.id: AC5
struct site.details: binding site for residue SO4 A 305
struct site.pdbx auth asym id: A
struct site.pdbx auth comp id: SO4
struct site.pdbx auth seq id: 305
struct site.pdbx evidence code: Software
struct site.pdbx num residues: 4
referenced by struct site gen: 28,AC5
referenced by struct site gen: 25,AC5
referenced by struct site gen: 26,AC5
referenced by struct site gen: 27,AC5

AC6
type: struct site
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
struct site.id: AC6
struct site.details: binding site for residue 76T A 306
struct site.pdbx auth asym id: A
struct site.pdbx auth comp id: 76T
struct site.pdbx auth seq id: 306
struct site.pdbx evidence code: Software
struct site.pdbx num residues: 23
referenced by struct site gen: 51,AC6
referenced by struct site gen: 29,AC6
referenced by struct site gen: 30,AC6
referenced by struct site gen: 31,AC6
referenced by struct site gen: 32,AC6
referenced by struct site gen: 33,AC6
referenced by struct site gen: 34,AC6
referenced by struct site gen: 35,AC6
referenced by struct site gen: 36,AC6
referenced by struct site gen: 37,AC6
referenced by struct site gen: 38,AC6
referenced by struct site gen: 39,AC6
referenced by struct site gen: 40,AC6
referenced by struct site gen: 41,AC6
referenced by struct site gen: 42,AC6
referenced by struct site gen: 43,AC6
referenced by struct site gen: 44,AC6
referenced by struct site gen: 45,AC6
referenced by struct site gen: 46,AC6
referenced by struct site gen: 47,AC6
referenced by struct site gen: 48,AC6
referenced by struct site gen: 49,AC6
referenced by struct site gen: 50,AC6

AC7
type: struct site
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
struct site.id: AC7
struct site.details: binding site for residue SO4 A 307
struct site.pdbx auth asym id: A
struct site.pdbx auth comp id: SO4
struct site.pdbx auth seq id: 307
struct site.pdbx evidence code: Software
struct site.pdbx num residues: 7
referenced by struct site gen: 58,AC7
referenced by struct site gen: 52,AC7
referenced by struct site gen: 53,AC7
referenced by struct site gen: 54,AC7
referenced by struct site gen: 55,AC7
referenced by struct site gen: 56,AC7
referenced by struct site gen: 57,AC7

1,AC1
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC1
struct site gen.id: 1
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: ASP
struct site gen.auth seq id: 141
struct site gen.label asym id: A
struct site gen.label comp id: ASP
struct site gen.label seq id: 141
struct site gen.pdbx num res: 5
struct site gen.symmetry: 1_555

2,AC1
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC1
struct site gen.id: 2
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: ASP
struct site gen.auth seq id: 169
struct site gen.label asym id: A
struct site gen.label comp id: ASP
struct site gen.label seq id: 169
struct site gen.pdbx num res: 5
struct site gen.symmetry: 1_555

3,AC1
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC1
struct site gen.id: 3
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: ASN
struct site gen.auth seq id: 170
struct site gen.label asym id: A
struct site gen.label comp id: ASN
struct site gen.label seq id: 170
struct site gen.pdbx num res: 5
struct site gen.symmetry: 1_555

4,AC1
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC1
struct site gen.id: 4
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: 76T
struct site gen.auth seq id: 306
struct site gen.label asym id: G
struct site gen.label comp id: 76T
struct site gen.pdbx num res: 5
struct site gen.symmetry: 1_555

5,AC1
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC1
struct site gen.id: 5
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: HOH
struct site gen.auth seq id: 421
struct site gen.label asym id: I
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 5
struct site gen.symmetry: 1_555

6,AC2
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC2
struct site gen.id: 6
struct site gen.site id: AC2
struct site gen.auth asym id: A
struct site gen.auth comp id: ASN
struct site gen.auth seq id: 41
struct site gen.label asym id: A
struct site gen.label comp id: ASN
struct site gen.label seq id: 41
struct site gen.pdbx num res: 5
struct site gen.symmetry: 1_555

7,AC2
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC2
struct site gen.id: 7
struct site gen.site id: AC2
struct site gen.auth asym id: A
struct site gen.auth comp id: VAL
struct site gen.auth seq id: 42
struct site gen.label asym id: A
struct site gen.label comp id: VAL
struct site gen.label seq id: 42
struct site gen.pdbx num res: 5
struct site gen.symmetry: 1_555

8,AC2
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC2
struct site gen.id: 8
struct site gen.site id: AC2
struct site gen.auth asym id: A
struct site gen.auth comp id: TYR
struct site gen.auth seq id: 71
struct site gen.label asym id: A
struct site gen.label comp id: TYR
struct site gen.label seq id: 71
struct site gen.pdbx num res: 5
struct site gen.symmetry: 1_555

9,AC2
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC2
struct site gen.id: 9
struct site gen.site id: AC2
struct site gen.auth asym id: A
struct site gen.auth comp id: SER
struct site gen.auth seq id: 72
struct site gen.label asym id: A
struct site gen.label comp id: SER
struct site gen.label seq id: 72
struct site gen.pdbx num res: 5
struct site gen.symmetry: 1_555

10,AC2
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC2
struct site gen.id: 10
struct site gen.site id: AC2
struct site gen.auth asym id: A
struct site gen.auth comp id: HOH
struct site gen.auth seq id: 445
struct site gen.label asym id: I
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 5
struct site gen.symmetry: 1_555

11,AC3
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC3
struct site gen.id: 11
struct site gen.site id: AC3
struct site gen.auth asym id: A
struct site gen.auth comp id: ASP
struct site gen.auth seq id: 44
struct site gen.label asym id: A
struct site gen.label comp id: ASP
struct site gen.label seq id: 44
struct site gen.pdbx num res: 4
struct site gen.symmetry: 1_555

12,AC3
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC3
struct site gen.id: 12
struct site gen.site id: AC3
struct site gen.auth asym id: A
struct site gen.auth comp id: ALA
struct site gen.auth seq id: 45
struct site gen.label asym id: A
struct site gen.label comp id: ALA
struct site gen.label seq id: 45
struct site gen.pdbx num res: 4
struct site gen.symmetry: 1_555

13,AC3
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC3
struct site gen.id: 13
struct site gen.site id: AC3
struct site gen.auth asym id: A
struct site gen.auth comp id: TYR
struct site gen.auth seq id: 200
struct site gen.label asym id: A
struct site gen.label comp id: TYR
struct site gen.label seq id: 200
struct site gen.pdbx num res: 4
struct site gen.symmetry: 1_555

14,AC3
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC3
struct site gen.id: 14
struct site gen.site id: AC3
struct site gen.auth asym id: A
struct site gen.auth comp id: HOH
struct site gen.auth seq id: 567
struct site gen.label asym id: I
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 4
struct site gen.symmetry: 1_555

15,AC4
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC4
struct site gen.id: 15
struct site gen.site id: AC4
struct site gen.auth asym id: A
struct site gen.auth comp id: GLU
struct site gen.auth seq id: 37
struct site gen.label asym id: A
struct site gen.label comp id: GLU
struct site gen.label seq id: 37
struct site gen.pdbx num res: 10
struct site gen.symmetry: 3_545

16,AC4
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC4
struct site gen.id: 16
struct site gen.site id: AC4
struct site gen.auth asym id: A
struct site gen.auth comp id: TRP
struct site gen.auth seq id: 38
struct site gen.label asym id: A
struct site gen.label comp id: TRP
struct site gen.label seq id: 38
struct site gen.pdbx num res: 10
struct site gen.symmetry: 3_545

17,AC4
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC4
struct site gen.id: 17
struct site gen.site id: AC4
struct site gen.auth asym id: A
struct site gen.auth comp id: GLN
struct site gen.auth seq id: 100
struct site gen.label asym id: A
struct site gen.label comp id: GLN
struct site gen.label seq id: 100
struct site gen.pdbx num res: 10
struct site gen.symmetry: 1_555

18,AC4
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC4
struct site gen.id: 18
struct site gen.site id: AC4
struct site gen.auth asym id: A
struct site gen.auth comp id: ILE
struct site gen.auth seq id: 114
struct site gen.label asym id: A
struct site gen.label comp id: ILE
struct site gen.label seq id: 114
struct site gen.pdbx num res: 10
struct site gen.symmetry: 1_555

19,AC4
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC4
struct site gen.id: 19
struct site gen.site id: AC4
struct site gen.auth asym id: A
struct site gen.auth comp id: LEU
struct site gen.auth seq id: 115
struct site gen.label asym id: A
struct site gen.label comp id: LEU
struct site gen.label seq id: 115
struct site gen.pdbx num res: 10
struct site gen.symmetry: 1_555

20,AC4
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC4
struct site gen.id: 20
struct site gen.site id: AC4
struct site gen.auth asym id: A
struct site gen.auth comp id: TYR
struct site gen.auth seq id: 130
struct site gen.label asym id: A
struct site gen.label comp id: TYR
struct site gen.label seq id: 130
struct site gen.pdbx num res: 10
struct site gen.symmetry: 1_555

21,AC4
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC4
struct site gen.id: 21
struct site gen.site id: AC4
struct site gen.auth asym id: A
struct site gen.auth comp id: MET
struct site gen.auth seq id: 201
struct site gen.label asym id: A
struct site gen.label comp id: MET
struct site gen.label seq id: 201
struct site gen.pdbx num res: 10
struct site gen.symmetry: 3_545

22,AC4
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC4
struct site gen.id: 22
struct site gen.site id: AC4
struct site gen.auth asym id: A
struct site gen.auth comp id: 76T
struct site gen.auth seq id: 306
struct site gen.label asym id: G
struct site gen.label comp id: 76T
struct site gen.pdbx num res: 10
struct site gen.symmetry: 3_545

23,AC4
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC4
struct site gen.id: 23
struct site gen.site id: AC4
struct site gen.auth asym id: A
struct site gen.auth comp id: HOH
struct site gen.auth seq id: 549
struct site gen.label asym id: I
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 10
struct site gen.symmetry: 1_555

24,AC4
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC4
struct site gen.id: 24
struct site gen.site id: AC4
struct site gen.auth asym id: A
struct site gen.auth comp id: HOH
struct site gen.auth seq id: 559
struct site gen.label asym id: I
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 10
struct site gen.symmetry: 1_555

25,AC5
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC5
struct site gen.id: 25
struct site gen.site id: AC5
struct site gen.auth asym id: A
struct site gen.auth comp id: GLY
struct site gen.auth seq id: 83
struct site gen.label asym id: A
struct site gen.label comp id: GLY
struct site gen.label seq id: 83
struct site gen.pdbx num res: 4
struct site gen.symmetry: 1_555

26,AC5
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC5
struct site gen.id: 26
struct site gen.site id: AC5
struct site gen.auth asym id: A
struct site gen.auth comp id: ARG
struct site gen.auth seq id: 85
struct site gen.label asym id: A
struct site gen.label comp id: ARG
struct site gen.label seq id: 85
struct site gen.pdbx num res: 4
struct site gen.symmetry: 1_555

27,AC5
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC5
struct site gen.id: 27
struct site gen.site id: AC5
struct site gen.auth asym id: A
struct site gen.auth comp id: LYS
struct site gen.auth seq id: 111
struct site gen.label asym id: A
struct site gen.label comp id: LYS
struct site gen.label seq id: 111
struct site gen.pdbx num res: 4
struct site gen.symmetry: 1_555

28,AC5
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC5
struct site gen.id: 28
struct site gen.site id: AC5
struct site gen.auth asym id: A
struct site gen.auth comp id: LYS
struct site gen.auth seq id: 128
struct site gen.label asym id: A
struct site gen.label comp id: LYS
struct site gen.label seq id: 128
struct site gen.pdbx num res: 4
struct site gen.symmetry: 4_546

29,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 29
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: MET
struct site gen.auth seq id: 40
struct site gen.label asym id: A
struct site gen.label comp id: MET
struct site gen.label seq id: 40
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

30,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 30
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: MET
struct site gen.auth seq id: 89
struct site gen.label asym id: A
struct site gen.label comp id: MET
struct site gen.label seq id: 89
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

31,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 31
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: GLU
struct site gen.auth seq id: 90
struct site gen.label asym id: A
struct site gen.label comp id: GLU
struct site gen.label seq id: 90
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

32,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 32
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: ILE
struct site gen.auth seq id: 91
struct site gen.label asym id: A
struct site gen.label comp id: ILE
struct site gen.label seq id: 91
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

33,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 33
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: ALA
struct site gen.auth seq id: 97
struct site gen.label asym id: A
struct site gen.label comp id: ALA
struct site gen.label seq id: 97
struct site gen.pdbx num res: 23
struct site gen.symmetry: 3_555

34,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 34
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: GLN
struct site gen.auth seq id: 100
struct site gen.label asym id: A
struct site gen.label comp id: GLN
struct site gen.label seq id: 100
struct site gen.pdbx num res: 23
struct site gen.symmetry: 3_555

35,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 35
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: GLN
struct site gen.auth seq id: 101
struct site gen.label asym id: A
struct site gen.label comp id: GLN
struct site gen.label seq id: 101
struct site gen.pdbx num res: 23
struct site gen.symmetry: 3_555

36,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 36
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: SER
struct site gen.auth seq id: 119
struct site gen.label asym id: A
struct site gen.label comp id: SER
struct site gen.label seq id: 119
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

37,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 37
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: ASP
struct site gen.auth seq id: 141
struct site gen.label asym id: A
struct site gen.label comp id: ASP
struct site gen.label seq id: 141
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

38,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 38
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: HIS
struct site gen.auth seq id: 142
struct site gen.label asym id: A
struct site gen.label comp id: HIS
struct site gen.label seq id: 142
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

39,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 39
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: TRP
struct site gen.auth seq id: 143
struct site gen.label asym id: A
struct site gen.label comp id: TRP
struct site gen.label seq id: 143
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

40,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 40
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: LYS
struct site gen.auth seq id: 144
struct site gen.label asym id: A
struct site gen.label comp id: LYS
struct site gen.label seq id: 144
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

41,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 41
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: ASP
struct site gen.auth seq id: 169
struct site gen.label asym id: A
struct site gen.label comp id: ASP
struct site gen.label seq id: 169
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

42,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 42
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: ASN
struct site gen.auth seq id: 170
struct site gen.label asym id: A
struct site gen.label comp id: ASN
struct site gen.label seq id: 170
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

43,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 43
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: GLU
struct site gen.auth seq id: 199
struct site gen.label asym id: A
struct site gen.label comp id: GLU
struct site gen.label seq id: 199
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

44,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 44
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: MG
struct site gen.auth seq id: 301
struct site gen.label asym id: B
struct site gen.label comp id: MG
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

45,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 45
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: NHE
struct site gen.auth seq id: 304
struct site gen.label asym id: E
struct site gen.label comp id: NHE
struct site gen.pdbx num res: 23
struct site gen.symmetry: 3_555

46,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 46
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: HOH
struct site gen.auth seq id: 421
struct site gen.label asym id: I
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

47,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 47
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: HOH
struct site gen.auth seq id: 442
struct site gen.label asym id: I
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

48,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 48
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: HOH
struct site gen.auth seq id: 497
struct site gen.label asym id: I
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

49,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 49
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: HOH
struct site gen.auth seq id: 502
struct site gen.label asym id: I
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

50,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 50
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: HOH
struct site gen.auth seq id: 514
struct site gen.label asym id: I
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

51,AC6
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC6
struct site gen.id: 51
struct site gen.site id: AC6
struct site gen.auth asym id: A
struct site gen.auth comp id: HOH
struct site gen.auth seq id: 544
struct site gen.label asym id: I
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 23
struct site gen.symmetry: 1_555

52,AC7
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC7
struct site gen.id: 52
struct site gen.site id: AC7
struct site gen.auth asym id: A
struct site gen.auth comp id: ASP
struct site gen.auth seq id: 3
struct site gen.label asym id: A
struct site gen.label comp id: ASP
struct site gen.label seq id: 3
struct site gen.pdbx num res: 7
struct site gen.symmetry: 1_555

53,AC7
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC7
struct site gen.id: 53
struct site gen.site id: AC7
struct site gen.auth asym id: A
struct site gen.auth comp id: THR
struct site gen.auth seq id: 4
struct site gen.label asym id: A
struct site gen.label comp id: THR
struct site gen.label seq id: 4
struct site gen.pdbx num res: 7
struct site gen.symmetry: 1_555

54,AC7
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC7
struct site gen.id: 54
struct site gen.site id: AC7
struct site gen.auth asym id: A
struct site gen.auth comp id: LYS
struct site gen.auth seq id: 5
struct site gen.label asym id: A
struct site gen.label comp id: LYS
struct site gen.label seq id: 5
struct site gen.pdbx num res: 7
struct site gen.symmetry: 1_555

55,AC7
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC7
struct site gen.id: 55
struct site gen.site id: AC7
struct site gen.auth asym id: A
struct site gen.auth comp id: ARG
struct site gen.auth seq id: 8
struct site gen.label asym id: A
struct site gen.label comp id: ARG
struct site gen.label seq id: 8
struct site gen.pdbx num res: 7
struct site gen.symmetry: 1_555

56,AC7
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC7
struct site gen.id: 56
struct site gen.site id: AC7
struct site gen.auth asym id: A
struct site gen.auth comp id: HOH
struct site gen.auth seq id: 422
struct site gen.label asym id: I
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 7
struct site gen.symmetry: 1_555

57,AC7
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC7
struct site gen.id: 57
struct site gen.site id: AC7
struct site gen.auth asym id: A
struct site gen.auth comp id: HOH
struct site gen.auth seq id: 460
struct site gen.label asym id: I
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 7
struct site gen.symmetry: 1_555

58,AC7
type: struct site gen
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to struct site: AC7
struct site gen.id: 58
struct site gen.site id: AC7
struct site gen.auth asym id: A
struct site gen.auth comp id: HOH
struct site gen.auth seq id: 475
struct site gen.label asym id: I
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 7
struct site gen.symmetry: 1_555

5P94
type: symmetry
of datablock: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide at 1.20A
reference to entry: 5P94
symmetry.entry id: 5P94
symmetry.int tables number: 19
symmetry.space group name H-M: P 21 21 21