Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
type: datablock
alternative label: 1E9W
link to mmcif: 1E9W.cif.gz
link to pdbml: 1E9W.xml.gz
link to pdbml noatom: 1E9W-noatom.xml.gz
link to pdbml extatom: 1E9W-extatom.xml.gz
link to doi: doi:10.2210/pdb1E9W/pdb
datablock name: 1E9W-noatom
has atom sites category: atom sitesCategory
has atom type category: atom typeCategory
has audit author category: audit authorCategory
has audit conform category: audit conformCategory
has cell category: cellCategory
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has citation category: citationCategory
has citation author category: citation authorCategory
has database 2 category: database 2Category
has database PDB matrix category: database PDB matrixCategory
has diffrn category: diffrnCategory
has diffrn detector category: diffrn detectorCategory
has diffrn radiation category: diffrn radiationCategory
has diffrn radiation wavelength category: diffrn radiation wavelengthCategory
has diffrn source category: diffrn sourceCategory
has entity category: entityCategory
has entity name com category: entity name comCategory
has entity poly category: entity polyCategory
has entity poly seq category: entity poly seqCategory
has entity src nat category: entity src natCategory
has entry category: entryCategory
has exptl category: exptlCategory
has exptl crystal category: exptl crystalCategory
has exptl crystal grow category: exptl crystal growCategory
has pdbx audit revision category category: pdbx audit revision categoryCategory
has pdbx audit revision details category: pdbx audit revision detailsCategory
has pdbx audit revision group category: pdbx audit revision groupCategory
has pdbx audit revision history category: pdbx audit revision historyCategory
has pdbx audit revision item category: pdbx audit revision itemCategory
has pdbx database related category: pdbx database relatedCategory
has pdbx database status category: pdbx database statusCategory
has pdbx entity nonpoly category: pdbx entity nonpolyCategory
has pdbx entry details category: pdbx entry detailsCategory
has pdbx initial refinement model category: pdbx initial refinement modelCategory
has pdbx molecule category: pdbx moleculeCategory
has pdbx molecule features category: pdbx molecule featuresCategory
has pdbx nonpoly scheme category: pdbx nonpoly schemeCategory
has pdbx poly seq scheme category: pdbx poly seq schemeCategory
has pdbx refine category: pdbx refineCategory
has pdbx struct assembly category: pdbx struct assemblyCategory
has pdbx struct assembly gen category: pdbx struct assembly genCategory
has pdbx struct mod residue category: pdbx struct mod residueCategory
has pdbx struct oper list category: pdbx struct oper listCategory
has pdbx struct special symmetry category: pdbx struct special symmetryCategory
has pdbx validate rmsd bond category: pdbx validate rmsd bondCategory
has pdbx validate torsion category: pdbx validate torsionCategory
has refine category: refineCategory
has refine analyze category: refine analyzeCategory
has refine hist category: refine histCategory
has refine ls restr category: refine ls restrCategory
has reflns category: reflnsCategory
has reflns shell category: reflns shellCategory
has software category: softwareCategory
has struct category: structCategory
has struct asym category: struct asymCategory
has struct biol category: struct biolCategory
has struct conn category: struct connCategory
has struct conn type category: struct conn typeCategory
has struct keywords category: struct keywordsCategory
has struct ref category: struct refCategory
has struct ref seq category: struct ref seqCategory
has struct site category: struct siteCategory
has struct site gen category: struct site genCategory
has symmetry category: symmetryCategory

1E9W
type: atom sites
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entry: 1E9W
atom sites.entry id: 1E9W
atom sites.fract transf matrix11: 0.037627
atom sites.fract transf matrix12: 0
atom sites.fract transf matrix13: 0
atom sites.fract transf matrix21: 0
atom sites.fract transf matrix22: 0.037627
atom sites.fract transf matrix23: 0
atom sites.fract transf matrix31: 0
atom sites.fract transf matrix32: 0
atom sites.fract transf matrix33: 0.036448
atom sites.fract transf vector1: 0
atom sites.fract transf vector2: 0
atom sites.fract transf vector3: 0

1E9W
referenced by atom sites: 1E9W
referenced by cell: 1E9W
referenced by database PDB matrix: 1E9W
type: entry
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
entry.id: 1E9W
referenced by exptl: 1E9W,X-RAY DIFFRACTION
referenced by refine: 1E9W,X-RAY DIFFRACTION
referenced by refine analyze: 1E9W,X-RAY DIFFRACTION
referenced by reflns: http://rdf.wwpdb.org/pdb/1E9W/reflns/1
referenced by struct: 1E9W
referenced by struct keywords: 1E9W
referenced by symmetry: 1E9W
referenced by pdbx database status: 1E9W
referenced by pdbx refine: 1E9W,X-RAY DIFFRACTION
referenced by pdbx entry details: 1E9W

http://rdf.wwpdb.org/pdb/1E9W/atom_type/C
type: atom type
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
atom type.symbol: C

http://rdf.wwpdb.org/pdb/1E9W/atom_type/N
type: atom type
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
atom type.symbol: N

http://rdf.wwpdb.org/pdb/1E9W/atom_type/O
type: atom type
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
atom type.symbol: O

http://rdf.wwpdb.org/pdb/1E9W/atom_type/S
type: atom type
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
atom type.symbol: S

http://rdf.wwpdb.org/pdb/1E9W/audit_author/1
type: audit author
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
audit author.pdbx ordinal: 1
audit author.name: Bond, C.S.

http://rdf.wwpdb.org/pdb/1E9W/audit_author/2
type: audit author
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
audit author.pdbx ordinal: 2
audit author.name: Shaw, M.P.

http://rdf.wwpdb.org/pdb/1E9W/audit_author/3
type: audit author
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
audit author.pdbx ordinal: 3
audit author.name: Alphey, M.S.

http://rdf.wwpdb.org/pdb/1E9W/audit_author/4
type: audit author
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
audit author.pdbx ordinal: 4
audit author.name: Hunter, W.N.

mmcif pdbx.dic,5.391
type: audit conform
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
audit conform.dict name: mmcif_pdbx.dic
audit conform.dict version: 5.391
audit conform.dict location: http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic

1E9W
type: cell
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entry: 1E9W
cell.entry id: 1E9W
cell.z PDB: 8
cell.angle alpha: 90
cell.angle beta: 90
cell.angle gamma: 90
cell.length a: 26.577
cell.length b: 26.577
cell.length c: 27.436

ALA
type: chem comp
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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,5
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,3

BB9
type: chem comp
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
chem comp.id: BB9
chem comp.formula: C3 H5 N O2 S
chem comp.formula weight: 119.142
chem comp.mon nstd flag: n
chem comp.name: (2Z)-2-amino-3-sulfanylprop-2-enoic acid
chem comp.type: peptide linking
link to chem comp: BB9
referenced by chem comp atom: HG,BB9
referenced by chem comp bond: SG,HG,BB9
referenced by entity poly seq: 1,BB9,16
referenced by chem comp atom: N,BB9
referenced by chem comp atom: CA,BB9
referenced by chem comp atom: C,BB9
referenced by chem comp atom: O,BB9
referenced by chem comp atom: CB,BB9
referenced by chem comp atom: SG,BB9
referenced by chem comp atom: OXT,BB9
referenced by chem comp atom: H,BB9
referenced by chem comp atom: H2,BB9
referenced by chem comp atom: HB,BB9
referenced by chem comp atom: HXT,BB9
referenced by chem comp bond: N,CA,BB9
referenced by chem comp bond: CA,C,BB9
referenced by chem comp bond: CA,CB,BB9
referenced by chem comp bond: C,O,BB9
referenced by chem comp bond: C,OXT,BB9
referenced by chem comp bond: CB,SG,BB9
referenced by chem comp bond: N,H,BB9
referenced by chem comp bond: N,H2,BB9
referenced by chem comp bond: CB,HB,BB9
referenced by chem comp bond: OXT,HXT,BB9
referenced by entity poly seq: 1,BB9,7
referenced by entity poly seq: 1,BB9,12
referenced by entity poly seq: 1,BB9,14

DBU
type: chem comp
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
chem comp.id: DBU
chem comp.formula: C4 H7 N O2
chem comp.formula weight: 101.104
chem comp.mon nstd flag: n
chem comp.name: (2Z)-2-AMINOBUT-2-ENOIC ACID
chem comp.pdbx synonyms: Z-DEHYDROBUTYRINE
chem comp.type: peptide linking
link to chem comp: DBU
referenced by chem comp atom: HXT,DBU
referenced by chem comp bond: OXT,HXT,DBU
referenced by entity poly seq: 1,DBU,9
referenced by chem comp atom: N,DBU
referenced by chem comp atom: CA,DBU
referenced by chem comp atom: CB,DBU
referenced by chem comp atom: CG,DBU
referenced by chem comp atom: C,DBU
referenced by chem comp atom: O,DBU
referenced by chem comp atom: OXT,DBU
referenced by chem comp atom: H,DBU
referenced by chem comp atom: H2,DBU
referenced by chem comp atom: HB,DBU
referenced by chem comp atom: HG1,DBU
referenced by chem comp atom: HG2,DBU
referenced by chem comp atom: HG3,DBU
referenced by chem comp bond: N,CA,DBU
referenced by chem comp bond: N,H,DBU
referenced by chem comp bond: N,H2,DBU
referenced by chem comp bond: CA,CB,DBU
referenced by chem comp bond: CA,C,DBU
referenced by chem comp bond: CB,CG,DBU
referenced by chem comp bond: CB,HB,DBU
referenced by chem comp bond: CG,HG1,DBU
referenced by chem comp bond: CG,HG2,DBU
referenced by chem comp bond: CG,HG3,DBU
referenced by chem comp bond: C,O,DBU
referenced by chem comp bond: C,OXT,DBU

DCY
type: chem comp
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
chem comp.id: DCY
chem comp.formula: C3 H7 N O2 S
chem comp.formula weight: 121.158
chem comp.name: D-CYSTEINE
chem comp.type: D-peptide linking
link to chem comp: DCY
referenced by chem comp atom: HXT,DCY
referenced by chem comp bond: OXT,HXT,DCY
referenced by entity poly seq: 1,DCY,10
referenced by chem comp atom: N,DCY
referenced by chem comp atom: CA,DCY
referenced by chem comp atom: C,DCY
referenced by chem comp atom: O,DCY
referenced by chem comp atom: CB,DCY
referenced by chem comp atom: SG,DCY
referenced by chem comp atom: OXT,DCY
referenced by chem comp atom: H,DCY
referenced by chem comp atom: H2,DCY
referenced by chem comp atom: HA,DCY
referenced by chem comp atom: HB2,DCY
referenced by chem comp atom: HB3,DCY
referenced by chem comp atom: HG,DCY
referenced by chem comp bond: N,CA,DCY
referenced by chem comp bond: N,H,DCY
referenced by chem comp bond: N,H2,DCY
referenced by chem comp bond: CA,C,DCY
referenced by chem comp bond: CA,CB,DCY
referenced by chem comp bond: CA,HA,DCY
referenced by chem comp bond: C,O,DCY
referenced by chem comp bond: C,OXT,DCY
referenced by chem comp bond: CB,SG,DCY
referenced by chem comp bond: CB,HB2,DCY
referenced by chem comp bond: CB,HB3,DCY
referenced by chem comp bond: SG,HG,DCY

DHA
type: chem comp
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
chem comp.id: DHA
chem comp.formula: C3 H5 N O2
chem comp.formula weight: 87.077
chem comp.mon nstd flag: n
chem comp.name: 2-AMINO-ACRYLIC ACID
chem comp.pdbx synonyms: 2,3-DIDEHYDROALANINE
chem comp.type: peptide linking
link to chem comp: DHA
referenced by chem comp atom: HXT,DHA
referenced by chem comp bond: OXT,HXT,DHA
referenced by entity poly seq: 1,DHA,18
referenced by chem comp atom: N,DHA
referenced by chem comp atom: CA,DHA
referenced by chem comp atom: CB,DHA
referenced by chem comp atom: C,DHA
referenced by chem comp atom: O,DHA
referenced by chem comp atom: OXT,DHA
referenced by chem comp atom: H,DHA
referenced by chem comp atom: H2,DHA
referenced by chem comp atom: HB1,DHA
referenced by chem comp atom: HB2,DHA
referenced by chem comp bond: N,CA,DHA
referenced by chem comp bond: N,H,DHA
referenced by chem comp bond: N,H2,DHA
referenced by chem comp bond: CA,CB,DHA
referenced by chem comp bond: CA,C,DHA
referenced by chem comp bond: CB,HB1,DHA
referenced by chem comp bond: CB,HB2,DHA
referenced by chem comp bond: C,O,DHA
referenced by chem comp bond: C,OXT,DHA
referenced by entity poly seq: 1,DHA,4
referenced by entity poly seq: 1,DHA,17

HOH
type: chem comp
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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 chem comp atom: O,HOH
referenced by chem comp atom: H1,HOH
referenced by chem comp bond: O,H1,HOH

ILE
type: chem comp
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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,2
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

MH6
type: chem comp
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
chem comp.id: MH6
chem comp.formula: C3 H5 N O3
chem comp.formula weight: 103.077
chem comp.mon nstd flag: n
chem comp.name: 3-hydroxy-2-iminopropanoic acid
chem comp.type: peptide linking
link to chem comp: MH6
referenced by chem comp atom: HG,MH6
referenced by chem comp bond: OG,HG,MH6
referenced by entity poly seq: 1,MH6,15
referenced by chem comp atom: N,MH6
referenced by chem comp atom: CA,MH6
referenced by chem comp atom: C,MH6
referenced by chem comp atom: CB,MH6
referenced by chem comp atom: OG,MH6
referenced by chem comp atom: O,MH6
referenced by chem comp atom: OXT,MH6
referenced by chem comp atom: H,MH6
referenced by chem comp atom: HB2,MH6
referenced by chem comp atom: HB3,MH6
referenced by chem comp atom: HXT,MH6
referenced by chem comp bond: N,CA,MH6
referenced by chem comp bond: CA,C,MH6
referenced by chem comp bond: CA,CB,MH6
referenced by chem comp bond: C,O,MH6
referenced by chem comp bond: C,OXT,MH6
referenced by chem comp bond: CB,OG,MH6
referenced by chem comp bond: N,H,MH6
referenced by chem comp bond: CB,HB2,MH6
referenced by chem comp bond: CB,HB3,MH6
referenced by chem comp bond: OXT,HXT,MH6

NH2
type: chem comp
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
chem comp.id: NH2
chem comp.formula: H2 N
chem comp.formula weight: 16.023
chem comp.name: AMINO GROUP
chem comp.type: non-polymer
link to chem comp: NH2
referenced by chem comp atom: HN2,NH2
referenced by chem comp bond: N,HN2,NH2
referenced by entity poly seq: 1,NH2,19
referenced by chem comp atom: N,NH2
referenced by chem comp atom: HN1,NH2
referenced by chem comp bond: N,HN1,NH2

QUA
type: chem comp
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
chem comp.id: QUA
chem comp.formula: C12 H13 N O4
chem comp.formula weight: 235.236
chem comp.name: 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID
chem comp.type: non-polymer
link to chem comp: QUA
referenced by chem comp atom: H1&#39;,QUA
referenced by chem comp bond: O1&#39;,H1&#39;,QUA
referenced by entity poly seq: 1,QUA,1
referenced by chem comp atom: O12,QUA
referenced by chem comp atom: C11,QUA
referenced by chem comp atom: C2,QUA
referenced by chem comp atom: N1,QUA
referenced by chem comp atom: C3,QUA
referenced by chem comp atom: C9,QUA
referenced by chem comp atom: C4,QUA
referenced by chem comp atom: C8,QUA
referenced by chem comp atom: C10,QUA
referenced by chem comp atom: O16,QUA
referenced by chem comp atom: C7,QUA
referenced by chem comp atom: C13,QUA
referenced by chem comp atom: O15,QUA
referenced by chem comp atom: C5,QUA
referenced by chem comp atom: C14,QUA
referenced by chem comp atom: C6,QUA
referenced by chem comp atom: O1&#39;,QUA
referenced by chem comp atom: HC3,QUA
referenced by chem comp atom: HC8,QUA
referenced by chem comp atom: H16,QUA
referenced by chem comp atom: HC71,QUA
referenced by chem comp atom: HC72,QUA
referenced by chem comp atom: H13,QUA
referenced by chem comp atom: H15,QUA
referenced by chem comp atom: HC5,QUA
referenced by chem comp atom: H141,QUA
referenced by chem comp atom: H142,QUA
referenced by chem comp atom: H143,QUA
referenced by chem comp atom: HC6,QUA
referenced by chem comp bond: O12,C11,QUA
referenced by chem comp bond: C11,C2,QUA
referenced by chem comp bond: C11,O1&#39;,QUA
referenced by chem comp bond: C2,N1,QUA
referenced by chem comp bond: C2,C3,QUA
referenced by chem comp bond: N1,C9,QUA
referenced by chem comp bond: C3,C4,QUA
referenced by chem comp bond: C3,HC3,QUA
referenced by chem comp bond: C9,C8,QUA
referenced by chem comp bond: C9,C10,QUA
referenced by chem comp bond: C4,C10,QUA
referenced by chem comp bond: C4,C13,QUA
referenced by chem comp bond: C8,O16,QUA
referenced by chem comp bond: C8,C7,QUA
referenced by chem comp bond: C8,HC8,QUA
referenced by chem comp bond: C10,C5,QUA
referenced by chem comp bond: O16,H16,QUA
referenced by chem comp bond: C7,C6,QUA
referenced by chem comp bond: C7,HC71,QUA
referenced by chem comp bond: C7,HC72,QUA
referenced by chem comp bond: C13,O15,QUA
referenced by chem comp bond: C13,C14,QUA
referenced by chem comp bond: C13,H13,QUA
referenced by chem comp bond: O15,H15,QUA
referenced by chem comp bond: C5,C6,QUA
referenced by chem comp bond: C5,HC5,QUA
referenced by chem comp bond: C14,H141,QUA
referenced by chem comp bond: C14,H142,QUA
referenced by chem comp bond: C14,H143,QUA
referenced by chem comp bond: C6,HC6,QUA

SER
type: chem comp
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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,6
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

THR
type: chem comp
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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,13
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,8

TS9
type: chem comp
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
chem comp.id: TS9
chem comp.formula: C6 H13 N O4
chem comp.formula weight: 163.172
chem comp.mon nstd flag: n
chem comp.name: (2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid
chem comp.type: L-peptide linking
link to chem comp: TS9
referenced by chem comp atom: HD13,TS9
referenced by chem comp bond: CD1,HD13,TS9
referenced by entity poly seq: 1,TS9,11
referenced by chem comp atom: N,TS9
referenced by chem comp atom: CA,TS9
referenced by chem comp atom: C,TS9
referenced by chem comp atom: CB,TS9
referenced by chem comp atom: OG3,TS9
referenced by chem comp atom: CG2,TS9
referenced by chem comp atom: CG1,TS9
referenced by chem comp atom: OD2,TS9
referenced by chem comp atom: CD1,TS9
referenced by chem comp atom: OXT,TS9
referenced by chem comp atom: O,TS9
referenced by chem comp atom: H,TS9
referenced by chem comp atom: H2,TS9
referenced by chem comp atom: HA,TS9
referenced by chem comp atom: HXT,TS9
referenced by chem comp atom: HG3,TS9
referenced by chem comp atom: HG21,TS9
referenced by chem comp atom: HG22,TS9
referenced by chem comp atom: HG23,TS9
referenced by chem comp atom: HG1,TS9
referenced by chem comp atom: HD2,TS9
referenced by chem comp atom: HD11,TS9
referenced by chem comp atom: HD12,TS9
referenced by chem comp bond: N,CA,TS9
referenced by chem comp bond: CA,C,TS9
referenced by chem comp bond: CA,CB,TS9
referenced by chem comp bond: C,OXT,TS9
referenced by chem comp bond: C,O,TS9
referenced by chem comp bond: CB,OG3,TS9
referenced by chem comp bond: CB,CG2,TS9
referenced by chem comp bond: CB,CG1,TS9
referenced by chem comp bond: CG1,OD2,TS9
referenced by chem comp bond: CG1,CD1,TS9
referenced by chem comp bond: N,H,TS9
referenced by chem comp bond: N,H2,TS9
referenced by chem comp bond: CA,HA,TS9
referenced by chem comp bond: OXT,HXT,TS9
referenced by chem comp bond: OG3,HG3,TS9
referenced by chem comp bond: CG2,HG21,TS9
referenced by chem comp bond: CG2,HG22,TS9
referenced by chem comp bond: CG2,HG23,TS9
referenced by chem comp bond: CG1,HG1,TS9
referenced by chem comp bond: OD2,HD2,TS9
referenced by chem comp bond: CD1,HD11,TS9
referenced by chem comp bond: CD1,HD12,TS9

N,ALA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 1
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 2
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 3
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 4
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 5
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 6
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 7
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 8
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 9
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 10
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 11
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 12
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,ALA

N,BB9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
chem comp atom.atom id: N
chem comp atom.comp id: BB9
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,BB9
referenced by chem comp bond: N,CA,BB9
referenced by chem comp bond: N,H,BB9

CA,BB9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
chem comp atom.atom id: CA
chem comp atom.comp id: BB9
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CA,CB,BB9
referenced by chem comp bond: N,CA,BB9
referenced by chem comp bond: CA,C,BB9

C,BB9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
chem comp atom.atom id: C
chem comp atom.comp id: BB9
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,BB9
referenced by chem comp bond: CA,C,BB9
referenced by chem comp bond: C,O,BB9

O,BB9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
chem comp atom.atom id: O
chem comp atom.comp id: BB9
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: O
referenced by chem comp bond: C,O,BB9

CB,BB9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
chem comp atom.atom id: CB
chem comp atom.comp id: BB9
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB,BB9
referenced by chem comp bond: CA,CB,BB9
referenced by chem comp bond: CB,SG,BB9

SG,BB9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
chem comp atom.atom id: SG
chem comp atom.comp id: BB9
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S
referenced by chem comp bond: SG,HG,BB9
referenced by chem comp bond: CB,SG,BB9

OXT,BB9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
chem comp atom.atom id: OXT
chem comp atom.comp id: BB9
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: OXT,HXT,BB9
referenced by chem comp bond: C,OXT,BB9

H,BB9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
chem comp atom.atom id: H
chem comp atom.comp id: BB9
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: H
referenced by chem comp bond: N,H,BB9

H2,BB9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
chem comp atom.atom id: H2
chem comp atom.comp id: BB9
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,BB9

HB,BB9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
chem comp atom.atom id: HB
chem comp atom.comp id: BB9
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB,BB9

HXT,BB9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
chem comp atom.atom id: HXT
chem comp atom.comp id: BB9
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: H
referenced by chem comp bond: OXT,HXT,BB9

HG,BB9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
chem comp atom.atom id: HG
chem comp atom.comp id: BB9
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: H
referenced by chem comp bond: SG,HG,BB9

N,DBU
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DBU
chem comp atom.atom id: N
chem comp atom.comp id: DBU
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: N
referenced by chem comp bond: N,H2,DBU
referenced by chem comp bond: N,CA,DBU
referenced by chem comp bond: N,H,DBU

CA,DBU
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DBU
chem comp atom.atom id: CA
chem comp atom.comp id: DBU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CA,C,DBU
referenced by chem comp bond: N,CA,DBU
referenced by chem comp bond: CA,CB,DBU

CB,DBU
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DBU
chem comp atom.atom id: CB
chem comp atom.comp id: DBU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB,DBU
referenced by chem comp bond: CA,CB,DBU
referenced by chem comp bond: CB,CG,DBU

CG,DBU
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DBU
chem comp atom.atom id: CG
chem comp atom.comp id: DBU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,HG3,DBU
referenced by chem comp bond: CB,CG,DBU
referenced by chem comp bond: CG,HG1,DBU
referenced by chem comp bond: CG,HG2,DBU

C,DBU
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DBU
chem comp atom.atom id: C
chem comp atom.comp id: DBU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,DBU
referenced by chem comp bond: CA,C,DBU
referenced by chem comp bond: C,O,DBU

O,DBU
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DBU
chem comp atom.atom id: O
chem comp atom.comp id: DBU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,DBU

OXT,DBU
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DBU
chem comp atom.atom id: OXT
chem comp atom.comp id: DBU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,DBU
referenced by chem comp bond: C,OXT,DBU

H,DBU
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DBU
chem comp atom.atom id: H
chem comp atom.comp id: DBU
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: H
referenced by chem comp bond: N,H,DBU

H2,DBU
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DBU
chem comp atom.atom id: H2
chem comp atom.comp id: DBU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,DBU

HB,DBU
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DBU
chem comp atom.atom id: HB
chem comp atom.comp id: DBU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB,DBU

HG1,DBU
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DBU
chem comp atom.atom id: HG1
chem comp atom.comp id: DBU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG1,DBU

HG2,DBU
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DBU
chem comp atom.atom id: HG2
chem comp atom.comp id: DBU
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: CG,HG2,DBU

HG3,DBU
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DBU
chem comp atom.atom id: HG3
chem comp atom.comp id: DBU
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: CG,HG3,DBU

HXT,DBU
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DBU
chem comp atom.atom id: HXT
chem comp atom.comp id: DBU
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: OXT,HXT,DBU

N,DCY
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DCY
chem comp atom.atom id: N
chem comp atom.comp id: DCY
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: N
referenced by chem comp bond: N,H2,DCY
referenced by chem comp bond: N,CA,DCY
referenced by chem comp bond: N,H,DCY

CA,DCY
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DCY
chem comp atom.atom id: CA
chem comp atom.comp id: DCY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,DCY
referenced by chem comp bond: N,CA,DCY
referenced by chem comp bond: CA,C,DCY
referenced by chem comp bond: CA,CB,DCY

C,DCY
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DCY
chem comp atom.atom id: C
chem comp atom.comp id: DCY
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: C
referenced by chem comp bond: C,OXT,DCY
referenced by chem comp bond: CA,C,DCY
referenced by chem comp bond: C,O,DCY

O,DCY
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DCY
chem comp atom.atom id: O
chem comp atom.comp id: DCY
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: O
referenced by chem comp bond: C,O,DCY

CB,DCY
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DCY
chem comp atom.atom id: CB
chem comp atom.comp id: DCY
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: C
referenced by chem comp bond: CB,HB3,DCY
referenced by chem comp bond: CA,CB,DCY
referenced by chem comp bond: CB,SG,DCY
referenced by chem comp bond: CB,HB2,DCY

SG,DCY
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DCY
chem comp atom.atom id: SG
chem comp atom.comp id: DCY
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: S
referenced by chem comp bond: SG,HG,DCY
referenced by chem comp bond: CB,SG,DCY

OXT,DCY
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DCY
chem comp atom.atom id: OXT
chem comp atom.comp id: DCY
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: O
referenced by chem comp bond: OXT,HXT,DCY
referenced by chem comp bond: C,OXT,DCY

H,DCY
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DCY
chem comp atom.atom id: H
chem comp atom.comp id: DCY
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: N,H,DCY

H2,DCY
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DCY
chem comp atom.atom id: H2
chem comp atom.comp id: DCY
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: N,H2,DCY

HA,DCY
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DCY
chem comp atom.atom id: HA
chem comp atom.comp id: DCY
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: CA,HA,DCY

HB2,DCY
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DCY
chem comp atom.atom id: HB2
chem comp atom.comp id: DCY
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: CB,HB2,DCY

HB3,DCY
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DCY
chem comp atom.atom id: HB3
chem comp atom.comp id: DCY
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: CB,HB3,DCY

HG,DCY
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DCY
chem comp atom.atom id: HG
chem comp atom.comp id: DCY
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: SG,HG,DCY

HXT,DCY
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DCY
chem comp atom.atom id: HXT
chem comp atom.comp id: DCY
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: OXT,HXT,DCY

N,DHA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DHA
chem comp atom.atom id: N
chem comp atom.comp id: DHA
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: N
referenced by chem comp bond: N,H2,DHA
referenced by chem comp bond: N,CA,DHA
referenced by chem comp bond: N,H,DHA

CA,DHA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DHA
chem comp atom.atom id: CA
chem comp atom.comp id: DHA
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: C
referenced by chem comp bond: CA,C,DHA
referenced by chem comp bond: N,CA,DHA
referenced by chem comp bond: CA,CB,DHA

CB,DHA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DHA
chem comp atom.atom id: CB
chem comp atom.comp id: DHA
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: C
referenced by chem comp bond: CB,HB2,DHA
referenced by chem comp bond: CA,CB,DHA
referenced by chem comp bond: CB,HB1,DHA

C,DHA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DHA
chem comp atom.atom id: C
chem comp atom.comp id: DHA
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: C
referenced by chem comp bond: C,OXT,DHA
referenced by chem comp bond: CA,C,DHA
referenced by chem comp bond: C,O,DHA

O,DHA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DHA
chem comp atom.atom id: O
chem comp atom.comp id: DHA
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: O
referenced by chem comp bond: C,O,DHA

OXT,DHA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DHA
chem comp atom.atom id: OXT
chem comp atom.comp id: DHA
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: O
referenced by chem comp bond: OXT,HXT,DHA
referenced by chem comp bond: C,OXT,DHA

H,DHA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DHA
chem comp atom.atom id: H
chem comp atom.comp id: DHA
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: H
referenced by chem comp bond: N,H,DHA

H2,DHA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DHA
chem comp atom.atom id: H2
chem comp atom.comp id: DHA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 61
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,DHA

HB1,DHA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DHA
chem comp atom.atom id: HB1
chem comp atom.comp id: DHA
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: H
referenced by chem comp bond: CB,HB1,DHA

HB2,DHA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DHA
chem comp atom.atom id: HB2
chem comp atom.comp id: DHA
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: H
referenced by chem comp bond: CB,HB2,DHA

HXT,DHA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DHA
chem comp atom.atom id: HXT
chem comp atom.comp id: DHA
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: H
referenced by chem comp bond: OXT,HXT,DHA

O,HOH
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 65
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 66
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 67
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 68
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 69
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 70
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 71
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 72
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 73
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 74
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 75
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 76
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 77
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 78
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 79
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 80
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 81
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 82
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 83
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 84
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 85
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 86
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 87
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 88
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 89
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,ILE

N,MH6
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: MH6
chem comp atom.atom id: N
chem comp atom.comp id: MH6
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: N
referenced by chem comp bond: N,H,MH6
referenced by chem comp bond: N,CA,MH6

CA,MH6
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: MH6
chem comp atom.atom id: CA
chem comp atom.comp id: MH6
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: C
referenced by chem comp bond: CA,CB,MH6
referenced by chem comp bond: N,CA,MH6
referenced by chem comp bond: CA,C,MH6

C,MH6
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: MH6
chem comp atom.atom id: C
chem comp atom.comp id: MH6
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: C
referenced by chem comp bond: C,OXT,MH6
referenced by chem comp bond: CA,C,MH6
referenced by chem comp bond: C,O,MH6

CB,MH6
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: MH6
chem comp atom.atom id: CB
chem comp atom.comp id: MH6
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: C
referenced by chem comp bond: CB,HB3,MH6
referenced by chem comp bond: CA,CB,MH6
referenced by chem comp bond: CB,OG,MH6
referenced by chem comp bond: CB,HB2,MH6

OG,MH6
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: MH6
chem comp atom.atom id: OG
chem comp atom.comp id: MH6
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: O
referenced by chem comp bond: OG,HG,MH6
referenced by chem comp bond: CB,OG,MH6

O,MH6
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: MH6
chem comp atom.atom id: O
chem comp atom.comp id: MH6
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: O
referenced by chem comp bond: C,O,MH6

OXT,MH6
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: MH6
chem comp atom.atom id: OXT
chem comp atom.comp id: MH6
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: O
referenced by chem comp bond: OXT,HXT,MH6
referenced by chem comp bond: C,OXT,MH6

H,MH6
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: MH6
chem comp atom.atom id: H
chem comp atom.comp id: MH6
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: N,H,MH6

HB2,MH6
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: MH6
chem comp atom.atom id: HB2
chem comp atom.comp id: MH6
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: CB,HB2,MH6

HB3,MH6
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: MH6
chem comp atom.atom id: HB3
chem comp atom.comp id: MH6
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: CB,HB3,MH6

HXT,MH6
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: MH6
chem comp atom.atom id: HXT
chem comp atom.comp id: MH6
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: H
referenced by chem comp bond: OXT,HXT,MH6

HG,MH6
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: MH6
chem comp atom.atom id: HG
chem comp atom.comp id: MH6
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 101
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OG,HG,MH6

N,NH2
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: NH2
chem comp atom.atom id: N
chem comp atom.comp id: NH2
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: N
referenced by chem comp bond: N,HN2,NH2
referenced by chem comp bond: N,HN1,NH2

HN1,NH2
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: NH2
chem comp atom.atom id: HN1
chem comp atom.comp id: NH2
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: H
referenced by chem comp bond: N,HN1,NH2

HN2,NH2
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: NH2
chem comp atom.atom id: HN2
chem comp atom.comp id: NH2
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: H
referenced by chem comp bond: N,HN2,NH2

O12,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: O12
chem comp atom.comp id: QUA
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: O
referenced by chem comp bond: O12,C11,QUA

C11,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: C11
chem comp atom.comp id: QUA
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: C
referenced by chem comp bond: C11,O1&#39;,QUA
referenced by chem comp bond: O12,C11,QUA
referenced by chem comp bond: C11,C2,QUA

C2,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: C2
chem comp atom.comp id: QUA
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 107
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C2,C3,QUA
referenced by chem comp bond: C11,C2,QUA
referenced by chem comp bond: C2,N1,QUA

N1,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: N1
chem comp atom.comp id: QUA
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 108
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N1,C9,QUA
referenced by chem comp bond: C2,N1,QUA

C3,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: C3
chem comp atom.comp id: QUA
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 109
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C3,HC3,QUA
referenced by chem comp bond: C2,C3,QUA
referenced by chem comp bond: C3,C4,QUA

C9,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: C9
chem comp atom.comp id: QUA
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 110
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C9,C10,QUA
referenced by chem comp bond: N1,C9,QUA
referenced by chem comp bond: C9,C8,QUA

C4,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: C4
chem comp atom.comp id: QUA
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 111
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C4,C13,QUA
referenced by chem comp bond: C3,C4,QUA
referenced by chem comp bond: C4,C10,QUA

C8,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: C8
chem comp atom.comp id: QUA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 112
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: C8,HC8,QUA
referenced by chem comp bond: C9,C8,QUA
referenced by chem comp bond: C8,O16,QUA
referenced by chem comp bond: C8,C7,QUA

C10,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: C10
chem comp atom.comp id: QUA
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 113
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C10,C5,QUA
referenced by chem comp bond: C4,C10,QUA
referenced by chem comp bond: C9,C10,QUA

O16,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: O16
chem comp atom.comp id: QUA
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: O
referenced by chem comp bond: O16,H16,QUA
referenced by chem comp bond: C8,O16,QUA

C7,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: C7
chem comp atom.comp id: QUA
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: C
referenced by chem comp bond: C7,HC72,QUA
referenced by chem comp bond: C8,C7,QUA
referenced by chem comp bond: C7,C6,QUA
referenced by chem comp bond: C7,HC71,QUA

C13,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: C13
chem comp atom.comp id: QUA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 116
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: C13,H13,QUA
referenced by chem comp bond: C4,C13,QUA
referenced by chem comp bond: C13,O15,QUA
referenced by chem comp bond: C13,C14,QUA

O15,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: O15
chem comp atom.comp id: QUA
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: O
referenced by chem comp bond: O15,H15,QUA
referenced by chem comp bond: C13,O15,QUA

C5,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: C5
chem comp atom.comp id: QUA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 118
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C5,HC5,QUA
referenced by chem comp bond: C10,C5,QUA
referenced by chem comp bond: C5,C6,QUA

C14,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: C14
chem comp atom.comp id: QUA
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: C14,H143,QUA
referenced by chem comp bond: C13,C14,QUA
referenced by chem comp bond: C14,H141,QUA
referenced by chem comp bond: C14,H142,QUA

C6,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: C6
chem comp atom.comp id: QUA
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: C
referenced by chem comp bond: C6,HC6,QUA
referenced by chem comp bond: C5,C6,QUA
referenced by chem comp bond: C7,C6,QUA

O1&#39;,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: O1'
chem comp atom.comp id: QUA
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: O
referenced by chem comp bond: O1&#39;,H1&#39;,QUA
referenced by chem comp bond: C11,O1&#39;,QUA

HC3,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: HC3
chem comp atom.comp id: QUA
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: H
referenced by chem comp bond: C3,HC3,QUA

HC8,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: HC8
chem comp atom.comp id: QUA
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: H
referenced by chem comp bond: C8,HC8,QUA

H16,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: H16
chem comp atom.comp id: QUA
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: H
referenced by chem comp bond: O16,H16,QUA

HC71,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: HC71
chem comp atom.comp id: QUA
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: H
referenced by chem comp bond: C7,HC71,QUA

HC72,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: HC72
chem comp atom.comp id: QUA
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: C7,HC72,QUA

H13,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: H13
chem comp atom.comp id: QUA
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: C13,H13,QUA

H15,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: H15
chem comp atom.comp id: QUA
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: O15,H15,QUA

HC5,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: HC5
chem comp atom.comp id: QUA
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: C5,HC5,QUA

H141,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: H141
chem comp atom.comp id: QUA
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: C14,H141,QUA

H142,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: H142
chem comp atom.comp id: QUA
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: C14,H142,QUA

H143,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: H143
chem comp atom.comp id: QUA
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: C14,H143,QUA

HC6,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: HC6
chem comp atom.comp id: QUA
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: H
referenced by chem comp bond: C6,HC6,QUA

H1&#39;,QUA
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
chem comp atom.atom id: H1'
chem comp atom.comp id: QUA
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: H
referenced by chem comp bond: O1&#39;,H1&#39;,QUA

N,SER
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 135
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 136
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 137
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 138
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 139
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 140
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 141
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 142
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 143
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 144
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 145
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 146
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 147
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 148
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,SER

N,THR
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 149
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 150
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 151
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 152
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 153
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 154
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 155
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 156
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 157
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 158
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 159
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 160
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 161
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 162
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 163
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 164
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 165
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,THR

N,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: N
chem comp atom.comp id: TS9
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: N
referenced by chem comp bond: N,H2,TS9
referenced by chem comp bond: N,CA,TS9
referenced by chem comp bond: N,H,TS9

CA,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: CA
chem comp atom.comp id: TS9
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 167
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,TS9
referenced by chem comp bond: N,CA,TS9
referenced by chem comp bond: CA,C,TS9
referenced by chem comp bond: CA,CB,TS9

C,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: C
chem comp atom.comp id: TS9
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: C
referenced by chem comp bond: C,O,TS9
referenced by chem comp bond: CA,C,TS9
referenced by chem comp bond: C,OXT,TS9

CB,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: CB
chem comp atom.comp id: TS9
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: CB,CG1,TS9
referenced by chem comp bond: CA,CB,TS9
referenced by chem comp bond: CB,OG3,TS9
referenced by chem comp bond: CB,CG2,TS9

OG3,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: OG3
chem comp atom.comp id: TS9
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: O
referenced by chem comp bond: OG3,HG3,TS9
referenced by chem comp bond: CB,OG3,TS9

CG2,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: CG2
chem comp atom.comp id: TS9
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: C
referenced by chem comp bond: CG2,HG23,TS9
referenced by chem comp bond: CB,CG2,TS9
referenced by chem comp bond: CG2,HG21,TS9
referenced by chem comp bond: CG2,HG22,TS9

CG1,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: CG1
chem comp atom.comp id: TS9
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 172
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C
referenced by chem comp bond: CG1,HG1,TS9
referenced by chem comp bond: CB,CG1,TS9
referenced by chem comp bond: CG1,OD2,TS9
referenced by chem comp bond: CG1,CD1,TS9

OD2,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: OD2
chem comp atom.comp id: TS9
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: O
referenced by chem comp bond: OD2,HD2,TS9
referenced by chem comp bond: CG1,OD2,TS9

CD1,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: CD1
chem comp atom.comp id: TS9
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: CD1,HD13,TS9
referenced by chem comp bond: CG1,CD1,TS9
referenced by chem comp bond: CD1,HD11,TS9
referenced by chem comp bond: CD1,HD12,TS9

OXT,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: OXT
chem comp atom.comp id: TS9
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: OXT,HXT,TS9
referenced by chem comp bond: C,OXT,TS9

O,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: O
chem comp atom.comp id: TS9
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: C,O,TS9

H,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: H
chem comp atom.comp id: TS9
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: H
referenced by chem comp bond: N,H,TS9

H2,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: H2
chem comp atom.comp id: TS9
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,H2,TS9

HA,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: HA
chem comp atom.comp id: TS9
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: CA,HA,TS9

HXT,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: HXT
chem comp atom.comp id: TS9
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: OXT,HXT,TS9

HG3,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: HG3
chem comp atom.comp id: TS9
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: OG3,HG3,TS9

HG21,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: HG21
chem comp atom.comp id: TS9
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: CG2,HG21,TS9

HG22,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: HG22
chem comp atom.comp id: TS9
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: CG2,HG22,TS9

HG23,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: HG23
chem comp atom.comp id: TS9
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: CG2,HG23,TS9

HG1,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: HG1
chem comp atom.comp id: TS9
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: CG1,HG1,TS9

HD2,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: HD2
chem comp atom.comp id: TS9
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: OD2,HD2,TS9

HD11,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: HD11
chem comp atom.comp id: TS9
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: H
referenced by chem comp bond: CD1,HD11,TS9

HD12,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: HD12
chem comp atom.comp id: TS9
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: H
referenced by chem comp bond: CD1,HD12,TS9

HD13,TS9
type: chem comp atom
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
chem comp atom.atom id: HD13
chem comp atom.comp id: TS9
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: H
referenced by chem comp bond: CD1,HD13,TS9

N,CA,ALA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,ALA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,ALA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,ALA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,ALA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,ALA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,ALA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,ALA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB1,ALA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,ALA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,ALA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,ALA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,BB9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,BB9
reference to chem comp atom: CA,BB9
reference to chem comp: BB9
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: BB9
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

CA,C,BB9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CA,BB9
reference to chem comp atom: C,BB9
reference to chem comp: BB9
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: BB9
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

CA,CB,BB9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CA,BB9
reference to chem comp atom: CB,BB9
reference to chem comp: BB9
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: BB9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,O,BB9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C,BB9
reference to chem comp atom: O,BB9
reference to chem comp: BB9
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: BB9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,BB9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C,BB9
reference to chem comp atom: OXT,BB9
reference to chem comp: BB9
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: BB9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: Z
chem comp bond.value order: sing

CB,SG,BB9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CB,BB9
reference to chem comp atom: SG,BB9
reference to chem comp: BB9
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: SG
chem comp bond.comp id: BB9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,BB9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,BB9
reference to chem comp atom: H,BB9
reference to chem comp: BB9
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: BB9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,BB9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,BB9
reference to chem comp atom: H2,BB9
reference to chem comp: BB9
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: BB9
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

CB,HB,BB9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CB,BB9
reference to chem comp atom: HB,BB9
reference to chem comp: BB9
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB
chem comp bond.comp id: BB9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,BB9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: OXT,BB9
reference to chem comp atom: HXT,BB9
reference to chem comp: BB9
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: BB9
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

SG,HG,BB9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: SG,BB9
reference to chem comp atom: HG,BB9
reference to chem comp: BB9
chem comp bond.atom id 1: SG
chem comp bond.atom id 2: HG
chem comp bond.comp id: BB9
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

N,CA,DBU
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,DBU
reference to chem comp atom: CA,DBU
reference to chem comp: DBU
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: DBU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,DBU
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,DBU
reference to chem comp atom: H,DBU
reference to chem comp: DBU
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: DBU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,DBU
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,DBU
reference to chem comp atom: H2,DBU
reference to chem comp: DBU
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: DBU
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

CA,CB,DBU
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CA,DBU
reference to chem comp atom: CB,DBU
reference to chem comp: DBU
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: DBU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: Z
chem comp bond.value order: doub

CA,C,DBU
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CA,DBU
reference to chem comp atom: C,DBU
reference to chem comp: DBU
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: DBU
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

CB,CG,DBU
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CB,DBU
reference to chem comp atom: CG,DBU
reference to chem comp: DBU
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: DBU
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

CB,HB,DBU
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CB,DBU
reference to chem comp atom: HB,DBU
reference to chem comp: DBU
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB
chem comp bond.comp id: DBU
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

CG,HG1,DBU
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CG,DBU
reference to chem comp atom: HG1,DBU
reference to chem comp: DBU
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG1
chem comp bond.comp id: DBU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG2,DBU
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CG,DBU
reference to chem comp atom: HG2,DBU
reference to chem comp: DBU
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.comp id: DBU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG3,DBU
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CG,DBU
reference to chem comp atom: HG3,DBU
reference to chem comp: DBU
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.comp id: DBU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,DBU
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C,DBU
reference to chem comp atom: O,DBU
reference to chem comp: DBU
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: DBU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 34
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,DBU
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C,DBU
reference to chem comp atom: OXT,DBU
reference to chem comp: DBU
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: DBU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,DBU
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: OXT,DBU
reference to chem comp atom: HXT,DBU
reference to chem comp: DBU
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: DBU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,DCY
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,DCY
reference to chem comp atom: CA,DCY
reference to chem comp: DCY
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: DCY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,DCY
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,DCY
reference to chem comp atom: H,DCY
reference to chem comp: DCY
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: DCY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,DCY
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,DCY
reference to chem comp atom: H2,DCY
reference to chem comp: DCY
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: DCY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,DCY
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CA,DCY
reference to chem comp atom: C,DCY
reference to chem comp: DCY
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: DCY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,DCY
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CA,DCY
reference to chem comp atom: CB,DCY
reference to chem comp: DCY
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: DCY
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

CA,HA,DCY
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CA,DCY
reference to chem comp atom: HA,DCY
reference to chem comp: DCY
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: DCY
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

C,O,DCY
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C,DCY
reference to chem comp atom: O,DCY
reference to chem comp: DCY
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: DCY
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: doub

C,OXT,DCY
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C,DCY
reference to chem comp atom: OXT,DCY
reference to chem comp: DCY
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: DCY
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

CB,SG,DCY
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CB,DCY
reference to chem comp atom: SG,DCY
reference to chem comp: DCY
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: SG
chem comp bond.comp id: DCY
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

CB,HB2,DCY
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CB,DCY
reference to chem comp atom: HB2,DCY
reference to chem comp: DCY
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: DCY
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

CB,HB3,DCY
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CB,DCY
reference to chem comp atom: HB3,DCY
reference to chem comp: DCY
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: DCY
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

SG,HG,DCY
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: SG,DCY
reference to chem comp atom: HG,DCY
reference to chem comp: DCY
chem comp bond.atom id 1: SG
chem comp bond.atom id 2: HG
chem comp bond.comp id: DCY
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

OXT,HXT,DCY
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: OXT,DCY
reference to chem comp atom: HXT,DCY
reference to chem comp: DCY
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: DCY
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

N,CA,DHA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,DHA
reference to chem comp atom: CA,DHA
reference to chem comp: DHA
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: DHA
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

N,H,DHA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,DHA
reference to chem comp atom: H,DHA
reference to chem comp: DHA
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: DHA
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

N,H2,DHA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,DHA
reference to chem comp atom: H2,DHA
reference to chem comp: DHA
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: DHA
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

CA,CB,DHA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CA,DHA
reference to chem comp atom: CB,DHA
reference to chem comp: DHA
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: DHA
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: doub

CA,C,DHA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CA,DHA
reference to chem comp atom: C,DHA
reference to chem comp: DHA
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: DHA
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

CB,HB1,DHA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CB,DHA
reference to chem comp atom: HB1,DHA
reference to chem comp: DHA
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB1
chem comp bond.comp id: DHA
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

CB,HB2,DHA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CB,DHA
reference to chem comp atom: HB2,DHA
reference to chem comp: DHA
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: DHA
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

C,O,DHA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C,DHA
reference to chem comp atom: O,DHA
reference to chem comp: DHA
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: DHA
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: doub

C,OXT,DHA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C,DHA
reference to chem comp atom: OXT,DHA
reference to chem comp: DHA
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: DHA
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

OXT,HXT,DHA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: OXT,DHA
reference to chem comp atom: HXT,DHA
reference to chem comp: DHA
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: DHA
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

O,H1,HOH
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 60
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O,H2,HOH
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 61
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 62
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 63
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 64
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 65
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 66
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 67
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 68
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 69
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG1,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 70
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG2,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 71
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 72
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG1,CD1,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 73
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG1,HG12,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 74
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG1,HG13,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 75
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG21,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 76
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG22,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 77
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG23,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 78
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD11,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 79
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD12,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 80
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD13,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 81
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,ILE
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 82
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,MH6
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,MH6
reference to chem comp atom: CA,MH6
reference to chem comp: MH6
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: MH6
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: doub

CA,C,MH6
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CA,MH6
reference to chem comp atom: C,MH6
reference to chem comp: MH6
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: MH6
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

CA,CB,MH6
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CA,MH6
reference to chem comp atom: CB,MH6
reference to chem comp: MH6
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: MH6
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

C,O,MH6
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C,MH6
reference to chem comp atom: O,MH6
reference to chem comp: MH6
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: MH6
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: doub

C,OXT,MH6
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C,MH6
reference to chem comp atom: OXT,MH6
reference to chem comp: MH6
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: MH6
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

CB,OG,MH6
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CB,MH6
reference to chem comp atom: OG,MH6
reference to chem comp: MH6
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: OG
chem comp bond.comp id: MH6
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

N,H,MH6
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,MH6
reference to chem comp atom: H,MH6
reference to chem comp: MH6
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: MH6
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

CB,HB2,MH6
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CB,MH6
reference to chem comp atom: HB2,MH6
reference to chem comp: MH6
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: MH6
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

CB,HB3,MH6
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CB,MH6
reference to chem comp atom: HB3,MH6
reference to chem comp: MH6
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: MH6
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

OXT,HXT,MH6
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: OXT,MH6
reference to chem comp atom: HXT,MH6
reference to chem comp: MH6
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: MH6
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

OG,HG,MH6
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: OG,MH6
reference to chem comp atom: HG,MH6
reference to chem comp: MH6
chem comp bond.atom id 1: OG
chem comp bond.atom id 2: HG
chem comp bond.comp id: MH6
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

N,HN1,NH2
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,NH2
reference to chem comp atom: HN1,NH2
reference to chem comp: NH2
chem comp bond.atom id 1: N
chem comp bond.atom id 2: HN1
chem comp bond.comp id: NH2
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

N,HN2,NH2
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,NH2
reference to chem comp atom: HN2,NH2
reference to chem comp: NH2
chem comp bond.atom id 1: N
chem comp bond.atom id 2: HN2
chem comp bond.comp id: NH2
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

O12,C11,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: O12,QUA
reference to chem comp atom: C11,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: O12
chem comp bond.atom id 2: C11
chem comp bond.comp id: QUA
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

C11,C2,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C11,QUA
reference to chem comp atom: C2,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C2
chem comp bond.comp id: QUA
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

C11,O1&#39;,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C11,QUA
reference to chem comp atom: O1&#39;,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: O1'
chem comp bond.comp id: QUA
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

C2,N1,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C2,QUA
reference to chem comp atom: N1,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: N1
chem comp bond.comp id: QUA
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 99
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C2,C3,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C2,QUA
reference to chem comp atom: C3,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.comp id: QUA
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 100
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N1,C9,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N1,QUA
reference to chem comp atom: C9,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: C9
chem comp bond.comp id: QUA
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 101
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,C4,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C3,QUA
reference to chem comp atom: C4,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.comp id: QUA
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 102
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C3,HC3,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C3,QUA
reference to chem comp atom: HC3,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: HC3
chem comp bond.comp id: QUA
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

C9,C8,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C9,QUA
reference to chem comp atom: C8,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C8
chem comp bond.comp id: QUA
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

C9,C10,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C9,QUA
reference to chem comp atom: C10,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C10
chem comp bond.comp id: QUA
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 105
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C4,C10,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C4,QUA
reference to chem comp atom: C10,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C10
chem comp bond.comp id: QUA
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 106
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4,C13,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C4,QUA
reference to chem comp atom: C13,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C13
chem comp bond.comp id: QUA
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

C8,O16,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C8,QUA
reference to chem comp atom: O16,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: O16
chem comp bond.comp id: QUA
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: sing

C8,C7,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C8,QUA
reference to chem comp atom: C7,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C7
chem comp bond.comp id: QUA
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

C8,HC8,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C8,QUA
reference to chem comp atom: HC8,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: HC8
chem comp bond.comp id: QUA
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

C10,C5,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C10,QUA
reference to chem comp atom: C5,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C5
chem comp bond.comp id: QUA
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

O16,H16,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: O16,QUA
reference to chem comp atom: H16,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: O16
chem comp bond.atom id 2: H16
chem comp bond.comp id: QUA
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

C7,C6,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C7,QUA
reference to chem comp atom: C6,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C6
chem comp bond.comp id: QUA
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: sing

C7,HC71,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C7,QUA
reference to chem comp atom: HC71,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: HC71
chem comp bond.comp id: QUA
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

C7,HC72,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C7,QUA
reference to chem comp atom: HC72,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: HC72
chem comp bond.comp id: QUA
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

C13,O15,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C13,QUA
reference to chem comp atom: O15,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: O15
chem comp bond.comp id: QUA
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

C13,C14,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C13,QUA
reference to chem comp atom: C14,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C14
chem comp bond.comp id: QUA
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

C13,H13,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C13,QUA
reference to chem comp atom: H13,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H13
chem comp bond.comp id: QUA
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

O15,H15,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: O15,QUA
reference to chem comp atom: H15,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: O15
chem comp bond.atom id 2: H15
chem comp bond.comp id: QUA
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

C5,C6,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C5,QUA
reference to chem comp atom: C6,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.comp id: QUA
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: doub

C5,HC5,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C5,QUA
reference to chem comp atom: HC5,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: HC5
chem comp bond.comp id: QUA
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

C14,H141,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C14,QUA
reference to chem comp atom: H141,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H141
chem comp bond.comp id: QUA
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

C14,H142,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C14,QUA
reference to chem comp atom: H142,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H142
chem comp bond.comp id: QUA
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

C14,H143,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C14,QUA
reference to chem comp atom: H143,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H143
chem comp bond.comp id: QUA
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: sing

C6,HC6,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C6,QUA
reference to chem comp atom: HC6,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: HC6
chem comp bond.comp id: QUA
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

O1&#39;,H1&#39;,QUA
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: O1&#39;,QUA
reference to chem comp atom: H1&#39;,QUA
reference to chem comp: QUA
chem comp bond.atom id 1: O1'
chem comp bond.atom id 2: H1'
chem comp bond.comp id: QUA
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

N,CA,SER
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 127
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,SER
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 128
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,SER
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 129
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,SER
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 130
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,SER
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 131
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,SER
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 132
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,SER
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 133
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,SER
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 134
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,OG,SER
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 135
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,SER
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 136
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,SER
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 137
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OG,HG,SER
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 138
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,SER
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 139
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 140
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 141
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 142
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 143
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 144
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 145
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 146
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 147
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,OG1,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 148
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG2,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 149
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 150
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OG1,HG1,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 151
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG21,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 152
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG22,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 153
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG23,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 154
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,THR
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 155
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,TS9
reference to chem comp atom: CA,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: TS9
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

CA,C,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CA,TS9
reference to chem comp atom: C,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: TS9
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

CA,CB,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CA,TS9
reference to chem comp atom: CB,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: TS9
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

C,OXT,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C,TS9
reference to chem comp atom: OXT,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: TS9
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

C,O,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: C,TS9
reference to chem comp atom: O,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: TS9
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

CB,OG3,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CB,TS9
reference to chem comp atom: OG3,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: OG3
chem comp bond.comp id: TS9
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

CB,CG2,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CB,TS9
reference to chem comp atom: CG2,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG2
chem comp bond.comp id: TS9
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

CB,CG1,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CB,TS9
reference to chem comp atom: CG1,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG1
chem comp bond.comp id: TS9
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

CG1,OD2,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CG1,TS9
reference to chem comp atom: OD2,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: CG1
chem comp bond.atom id 2: OD2
chem comp bond.comp id: TS9
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

CG1,CD1,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CG1,TS9
reference to chem comp atom: CD1,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: CG1
chem comp bond.atom id 2: CD1
chem comp bond.comp id: TS9
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,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,TS9
reference to chem comp atom: H,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: TS9
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,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: N,TS9
reference to chem comp atom: H2,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: TS9
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,HA,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CA,TS9
reference to chem comp atom: HA,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: TS9
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

OXT,HXT,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: OXT,TS9
reference to chem comp atom: HXT,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: TS9
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

OG3,HG3,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: OG3,TS9
reference to chem comp atom: HG3,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: OG3
chem comp bond.atom id 2: HG3
chem comp bond.comp id: TS9
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

CG2,HG21,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CG2,TS9
reference to chem comp atom: HG21,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG21
chem comp bond.comp id: TS9
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: sing

CG2,HG22,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CG2,TS9
reference to chem comp atom: HG22,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG22
chem comp bond.comp id: TS9
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

CG2,HG23,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CG2,TS9
reference to chem comp atom: HG23,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG23
chem comp bond.comp id: TS9
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

CG1,HG1,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CG1,TS9
reference to chem comp atom: HG1,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: CG1
chem comp bond.atom id 2: HG1
chem comp bond.comp id: TS9
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

OD2,HD2,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: OD2,TS9
reference to chem comp atom: HD2,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: OD2
chem comp bond.atom id 2: HD2
chem comp bond.comp id: TS9
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

CD1,HD11,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CD1,TS9
reference to chem comp atom: HD11,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD11
chem comp bond.comp id: TS9
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

CD1,HD12,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CD1,TS9
reference to chem comp atom: HD12,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD12
chem comp bond.comp id: TS9
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

CD1,HD13,TS9
type: chem comp bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp atom: CD1,TS9
reference to chem comp atom: HD13,TS9
reference to chem comp: TS9
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD13
chem comp bond.comp id: TS9
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

primary
type: citation
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
citation.id: primary
citation.country: DK
citation.journal abbrev: Acta Crystallogr.,Sect.D
citation.journal id ASTM: ABCRE6
citation.journal id CSD: 0766
citation.journal id ISSN: 0907-4449
citation.journal volume: 57
citation.page first: 755
citation.pdbx database id DOI: 10.1107/S0907444901003134
citation.pdbx database id pub med: 11320328
citation.title: Structure of the Macrocycle Thiostrepton Solved Using the Anomalous Dispersive Contribution from Sulfur
citation.year: 2001
link to doi: doi:10.1107/S0907444901003134
link to pubmed: pubmed:11320328
references: pubmed:11320328
referenced by citation author: primary,Hunter, W.N.,4
referenced by citation author: primary,Bond, C.S.,1
referenced by citation author: primary,Shaw, M.P.,2
referenced by citation author: primary,Alphey, M.S.,3

primary,Bond, C.S.,1
type: citation author
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to citation: primary
citation author.citation id: primary
citation author.name: Bond, C.S.
citation author.ordinal: 1

primary,Shaw, M.P.,2
type: citation author
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to citation: primary
citation author.citation id: primary
citation author.name: Shaw, M.P.
citation author.ordinal: 2

primary,Alphey, M.S.,3
type: citation author
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to citation: primary
citation author.citation id: primary
citation author.name: Alphey, M.S.
citation author.ordinal: 3

primary,Hunter, W.N.,4
type: citation author
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to citation: primary
citation author.citation id: primary
citation author.name: Hunter, W.N.
citation author.ordinal: 4

1E9W,PDB
type: database 2
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
database 2.database code: 1E9W
database 2.database id: PDB
database 2.pdbx DOI: 10.2210/pdb1e9w/pdb
database 2.pdbx database accession: pdb_00001e9w

EBI-5497,PDBE
type: database 2
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
database 2.database code: EBI-5497
database 2.database id: PDBE

D 1290005497,WWPDB
type: database 2
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
database 2.database code: D_1290005497
database 2.database id: WWPDB

1E9W
type: database PDB matrix
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entry: 1E9W
database PDB matrix.entry id: 1E9W
database PDB matrix.origx11: 1
database PDB matrix.origx12: 0
database PDB matrix.origx13: 0
database PDB matrix.origx21: 0
database PDB matrix.origx22: 1
database PDB matrix.origx23: 0
database PDB matrix.origx31: 0
database PDB matrix.origx32: 0
database PDB matrix.origx33: 1
database PDB matrix.origx vector1: 0
database PDB matrix.origx vector2: 0
database PDB matrix.origx vector3: 0

http://rdf.wwpdb.org/pdb/1E9W/diffrn/1
type: diffrn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to exptl crystal: http://rdf.wwpdb.org/pdb/1E9W/exptl_crystal/1
diffrn.id: 1
diffrn.ambient temp: 100
diffrn.crystal id: 1
referenced by diffrn detector: http://rdf.wwpdb.org/pdb/1E9W/diffrn_detector/1
referenced by diffrn radiation: http://rdf.wwpdb.org/pdb/1E9W/diffrn_radiation/1
referenced by diffrn source: http://rdf.wwpdb.org/pdb/1E9W/diffrn_source/1

http://rdf.wwpdb.org/pdb/1E9W/exptl_crystal/1
referenced by diffrn: http://rdf.wwpdb.org/pdb/1E9W/diffrn/1
type: exptl crystal
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
exptl crystal.id: 1
exptl crystal.density matthews: 1.46
exptl crystal.density percent sol: 14.8
referenced by exptl crystal grow: http://rdf.wwpdb.org/pdb/1E9W/exptl_crystal_grow/1

http://rdf.wwpdb.org/pdb/1E9W/diffrn_detector/1
type: diffrn detector
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to diffrn: http://rdf.wwpdb.org/pdb/1E9W/diffrn/1
diffrn detector.diffrn id: 1
diffrn detector.detector: CCD
diffrn detector.type: MARRESEARCH

http://rdf.wwpdb.org/pdb/1E9W/diffrn_radiation/1
type: diffrn radiation
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to diffrn: http://rdf.wwpdb.org/pdb/1E9W/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/1E9W/diffrn_radiation_wavelength/1
type: diffrn radiation wavelength
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
diffrn radiation wavelength.id: 1
diffrn radiation wavelength.wavelength: 0.73
diffrn radiation wavelength.wt: 1

http://rdf.wwpdb.org/pdb/1E9W/diffrn_source/1
type: diffrn source
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to diffrn: http://rdf.wwpdb.org/pdb/1E9W/diffrn/1
diffrn source.diffrn id: 1
diffrn source.pdbx synchrotron beamline: BM14
diffrn source.pdbx synchrotron site: ESRF
diffrn source.pdbx wavelength: 0.73
diffrn source.source: SYNCHROTRON
diffrn source.type: ESRF BEAMLINE BM14

http://rdf.wwpdb.org/pdb/1E9W/entity/1
type: entity
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
entity.id: 1
entity.formula weight: 1805.985
entity.pdbx description: THIOSTREPTON
entity.pdbx number of molecules: 1
entity.src method: nat
entity.type: polymer
referenced by entity name com: http://rdf.wwpdb.org/pdb/1E9W/entity_name_com/1
referenced by entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
referenced by struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
referenced by struct ref: http://rdf.wwpdb.org/pdb/1E9W/struct_ref/1
referenced by entity src nat: 1,1

http://rdf.wwpdb.org/pdb/1E9W/entity/2
type: entity
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
entity.id: 2
entity.formula weight: 18.015
entity.pdbx description: water
entity.pdbx number of molecules: 4
entity.src method: nat
entity.type: water
referenced by struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/B
referenced by pdbx entity nonpoly: http://rdf.wwpdb.org/pdb/1E9W/pdbx_entity_nonpoly/2

http://rdf.wwpdb.org/pdb/1E9W/entity_name_com/1
type: entity name com
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity: http://rdf.wwpdb.org/pdb/1E9W/entity/1
entity name com.entity id: 1
entity name com.name: ALANINAMIDE, BRYAMYCIN, THIACTIN

http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
type: entity poly
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity: http://rdf.wwpdb.org/pdb/1E9W/entity/1
entity poly.entity id: 1
entity poly.nstd linkage: no
entity poly.nstd monomer: yes
entity poly.pdbx seq one letter code can: XIASASCTTCICTCSCSSX
entity poly.pdbx strand id: A
entity poly.type: polypeptide(L)
referenced by entity poly seq: 1,NH2,19
referenced by entity poly seq: 1,QUA,1
referenced by entity poly seq: 1,ILE,2
referenced by entity poly seq: 1,ALA,3
referenced by entity poly seq: 1,DHA,4
referenced by entity poly seq: 1,ALA,5
referenced by entity poly seq: 1,SER,6
referenced by entity poly seq: 1,BB9,7
referenced by entity poly seq: 1,THR,8
referenced by entity poly seq: 1,DBU,9
referenced by entity poly seq: 1,DCY,10
referenced by entity poly seq: 1,TS9,11
referenced by entity poly seq: 1,BB9,12
referenced by entity poly seq: 1,THR,13
referenced by entity poly seq: 1,BB9,14
referenced by entity poly seq: 1,MH6,15
referenced by entity poly seq: 1,BB9,16
referenced by entity poly seq: 1,DHA,17
referenced by entity poly seq: 1,DHA,18

1,QUA,1
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: QUA
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: QUA
entity poly seq.num: 1
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,QUA,1

1,ILE,2
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: ILE
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ILE
entity poly seq.num: 2
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ILE,2

1,ALA,3
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 3
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,3

1,DHA,4
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DHA
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DHA
entity poly seq.num: 4
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DHA,4

1,ALA,5
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 5
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,5

1,SER,6
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 6
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,6

1,BB9,7
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: BB9
entity poly seq.num: 7
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,BB9,7

1,THR,8
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 8
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,8

1,DBU,9
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DBU
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DBU
entity poly seq.num: 9
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DBU,9

1,DCY,10
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DCY
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DCY
entity poly seq.num: 10
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DCY,10

1,TS9,11
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: TS9
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TS9
entity poly seq.num: 11
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TS9,11

1,BB9,12
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: BB9
entity poly seq.num: 12
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,BB9,12

1,THR,13
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 13
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,13

1,BB9,14
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: BB9
entity poly seq.num: 14
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,BB9,14

1,MH6,15
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: MH6
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: MH6
entity poly seq.num: 15
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,MH6,15

1,BB9,16
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: BB9
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: BB9
entity poly seq.num: 16
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,BB9,16

1,DHA,17
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DHA
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DHA
entity poly seq.num: 17
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DHA,17

1,DHA,18
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: DHA
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DHA
entity poly seq.num: 18
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DHA,18

1,NH2,19
type: entity poly seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to chem comp: NH2
reference to entity poly: http://rdf.wwpdb.org/pdb/1E9W/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: NH2
entity poly seq.num: 19
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,NH2,19

1,1
type: entity src nat
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity: http://rdf.wwpdb.org/pdb/1E9W/entity/1
entity src nat.entity id: 1
entity src nat.pdbx src id: 1
entity src nat.details: CALBIOCHEM
entity src nat.pdbx alt source flag: sample
entity src nat.pdbx ncbi taxonomy id: 146537
entity src nat.pdbx organism scientific: STREPTOMYCES AZUREUS
link to taxonomy source: taxonomy:146537

taxonomy:146537

1E9W,X-RAY DIFFRACTION
type: exptl
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entry: 1E9W
exptl.entry id: 1E9W
exptl.method: X-RAY DIFFRACTION
exptl.crystals number: 1

http://rdf.wwpdb.org/pdb/1E9W/exptl_crystal_grow/1
type: exptl crystal grow
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to exptl crystal: http://rdf.wwpdb.org/pdb/1E9W/exptl_crystal/1
exptl crystal grow.crystal id: 1
exptl crystal grow.p h: 7
exptl crystal grow.pdbx details: 1ML 15.38MG/ML THIOSTREPTON IN CHLOROFORM_ISOAMYL ALCOHOL + 100 MICROL GLYCEROL + 200 MICROL ETHANOL. BATCH METHOD, pH 7.00

Structure model,1,4
type: pdbx audit revision category
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,4
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 1
pdbx audit revision category.revision ordinal: 4
pdbx audit revision category.category: database_PDB_rev

Structure model,4
referenced by pdbx audit revision category: Structure model,1,4
referenced by pdbx audit revision category: Structure model,2,4
referenced by pdbx audit revision category: Structure model,3,4
referenced by pdbx audit revision category: Structure model,4,4
referenced by pdbx audit revision category: Structure model,5,4
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 group: Structure model,7,4
referenced by pdbx audit revision group: Structure model,8,4
referenced by pdbx audit revision group: Structure model,9,4
referenced by pdbx audit revision group: Structure model,10,4
type: pdbx audit revision history
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 4
pdbx audit revision history.major revision: 2
pdbx audit revision history.minor revision: 0
pdbx audit revision history.revision date: 2019-04-24
referenced by pdbx audit revision item: Structure model,4,4
referenced by pdbx audit revision item: Structure model,1,4
referenced by pdbx audit revision item: Structure model,2,4
referenced by pdbx audit revision item: Structure model,3,4

Structure model,2,4
type: pdbx audit revision category
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,4
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 2
pdbx audit revision category.revision ordinal: 4
pdbx audit revision category.category: database_PDB_rev_record

Structure model,3,4
type: pdbx audit revision category
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,4
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 3
pdbx audit revision category.revision ordinal: 4
pdbx audit revision category.category: entity_poly

Structure model,4,4
type: pdbx audit revision category
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,4
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 4
pdbx audit revision category.revision ordinal: 4
pdbx audit revision category.category: pdbx_database_proc

Structure model,5,4
type: pdbx audit revision category
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,4
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 5
pdbx audit revision category.revision ordinal: 4
pdbx audit revision category.category: pdbx_database_status

Structure model,6,4
type: pdbx audit revision category
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: pdbx_seq_map_depositor_info

Structure model,7,4
type: pdbx audit revision category
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: struct_conn

Structure model,8,5
type: pdbx audit revision category
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,5
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 8
pdbx audit revision category.revision ordinal: 5
pdbx audit revision category.category: refine

Structure model,5
referenced by pdbx audit revision category: Structure model,8,5
referenced by pdbx audit revision group: Structure model,11,5
referenced by pdbx audit revision group: Structure model,12,5
type: pdbx audit revision history
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 5
pdbx audit revision history.major revision: 2
pdbx audit revision history.minor revision: 1
pdbx audit revision history.revision date: 2019-05-22
referenced by pdbx audit revision item: Structure model,5,5

Structure model,9,6
type: pdbx audit revision category
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 9
pdbx audit revision category.revision ordinal: 6
pdbx audit revision category.category: chem_comp_atom

Structure model,6
referenced by pdbx audit revision category: Structure model,9,6
referenced by pdbx audit revision category: Structure model,10,6
referenced by pdbx audit revision category: Structure model,11,6
referenced by pdbx audit revision category: Structure model,12,6
referenced by pdbx audit revision category: Structure model,13,6
referenced by pdbx audit revision category: Structure model,14,6
referenced by pdbx audit revision category: Structure model,15,6
referenced by pdbx audit revision group: Structure model,13,6
referenced by pdbx audit revision group: Structure model,14,6
referenced by pdbx audit revision group: Structure model,15,6
referenced by pdbx audit revision group: Structure model,16,6
referenced by pdbx audit revision group: Structure model,17,6
type: pdbx audit revision history
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 6
pdbx audit revision history.major revision: 2
pdbx audit revision history.minor revision: 2
pdbx audit revision history.revision date: 2024-05-01
referenced by pdbx audit revision item: Structure model,19,6
referenced by pdbx audit revision item: Structure model,6,6
referenced by pdbx audit revision item: Structure model,7,6
referenced by pdbx audit revision item: Structure model,8,6
referenced by pdbx audit revision item: Structure model,9,6
referenced by pdbx audit revision item: Structure model,10,6
referenced by pdbx audit revision item: Structure model,11,6
referenced by pdbx audit revision item: Structure model,12,6
referenced by pdbx audit revision item: Structure model,13,6
referenced by pdbx audit revision item: Structure model,14,6
referenced by pdbx audit revision item: Structure model,15,6
referenced by pdbx audit revision item: Structure model,16,6
referenced by pdbx audit revision item: Structure model,17,6
referenced by pdbx audit revision item: Structure model,18,6

Structure model,10,6
type: pdbx audit revision category
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 10
pdbx audit revision category.revision ordinal: 6
pdbx audit revision category.category: chem_comp_bond

Structure model,11,6
type: pdbx audit revision category
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 11
pdbx audit revision category.revision ordinal: 6
pdbx audit revision category.category: database_2

Structure model,12,6
type: pdbx audit revision category
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 12
pdbx audit revision category.revision ordinal: 6
pdbx audit revision category.category: pdbx_database_status

Structure model,13,6
type: pdbx audit revision category
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 13
pdbx audit revision category.revision ordinal: 6
pdbx audit revision category.category: pdbx_initial_refinement_model

Structure model,14,6
type: pdbx audit revision category
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 14
pdbx audit revision category.revision ordinal: 6
pdbx audit revision category.category: struct_conn

Structure model,15,6
type: pdbx audit revision category
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 15
pdbx audit revision category.revision ordinal: 6
pdbx audit revision category.category: struct_site

Structure model,1,1
type: pdbx audit revision details
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 2001-03-23

Structure model,1,2
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: Atomic model

Structure model,2
referenced by pdbx audit revision group: Structure model,1,2
referenced by pdbx audit revision group: Structure model,2,2
referenced by pdbx audit revision group: Structure model,3,2
referenced by pdbx audit revision group: Structure model,4,2
referenced by pdbx audit revision group: Structure model,5,2
type: pdbx audit revision history
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 2011-07-13

Structure model,2,2
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,2
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 2
pdbx audit revision group.revision ordinal: 2
pdbx audit revision group.group: Database references

Structure model,3,2
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,2
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 3
pdbx audit revision group.revision ordinal: 2
pdbx audit revision group.group: Derived calculations

Structure model,4,2
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,2
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 4
pdbx audit revision group.revision ordinal: 2
pdbx audit revision group.group: Structure summary

Structure model,5,2
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,2
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 5
pdbx audit revision group.revision ordinal: 2
pdbx audit revision group.group: Version format compliance

Structure model,6,3
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,3
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 6
pdbx audit revision group.revision ordinal: 3
pdbx audit revision group.group: Other

Structure model,3
referenced by pdbx audit revision group: Structure model,6,3
type: pdbx audit revision history
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: 2012-11-30

Structure model,7,4
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,4
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 7
pdbx audit revision group.revision ordinal: 4
pdbx audit revision group.group: Data collection

Structure model,8,4
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,4
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 8
pdbx audit revision group.revision ordinal: 4
pdbx audit revision group.group: Derived calculations

Structure model,9,4
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,4
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 9
pdbx audit revision group.revision ordinal: 4
pdbx audit revision group.group: Other

Structure model,10,4
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,4
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 10
pdbx audit revision group.revision ordinal: 4
pdbx audit revision group.group: Polymer sequence

Structure model,11,5
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,5
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 11
pdbx audit revision group.revision ordinal: 5
pdbx audit revision group.group: Data collection

Structure model,12,5
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,5
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 12
pdbx audit revision group.revision ordinal: 5
pdbx audit revision group.group: Refinement description

Structure model,13,6
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 13
pdbx audit revision group.revision ordinal: 6
pdbx audit revision group.group: Data collection

Structure model,14,6
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 14
pdbx audit revision group.revision ordinal: 6
pdbx audit revision group.group: Database references

Structure model,15,6
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 15
pdbx audit revision group.revision ordinal: 6
pdbx audit revision group.group: Derived calculations

Structure model,16,6
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 16
pdbx audit revision group.revision ordinal: 6
pdbx audit revision group.group: Other

Structure model,17,6
type: pdbx audit revision group
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 17
pdbx audit revision group.revision ordinal: 6
pdbx audit revision group.group: Refinement description

Structure model,1,4
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,4
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 1
pdbx audit revision item.revision ordinal: 4
pdbx audit revision item.item: _entity_poly.pdbx_seq_one_letter_code_can

Structure model,2,4
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,4
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 2
pdbx audit revision item.revision ordinal: 4
pdbx audit revision item.item: _pdbx_database_status.recvd_author_approval

Structure model,3,4
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,4
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 3
pdbx audit revision item.revision ordinal: 4
pdbx audit revision item.item: _pdbx_seq_map_depositor_info.one_letter_code

Structure model,4,4
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,4
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 4
pdbx audit revision item.revision ordinal: 4
pdbx audit revision item.item: _struct_conn.pdbx_leaving_atom_flag

Structure model,5,5
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 5
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _refine.pdbx_ls_cross_valid_method

Structure model,6,6
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 6
pdbx audit revision item.revision ordinal: 6
pdbx audit revision item.item: _database_2.pdbx_DOI

Structure model,7,6
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 7
pdbx audit revision item.revision ordinal: 6
pdbx audit revision item.item: _database_2.pdbx_database_accession

Structure model,8,6
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 8
pdbx audit revision item.revision ordinal: 6
pdbx audit revision item.item: _pdbx_database_status.status_code_sf

Structure model,9,6
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 9
pdbx audit revision item.revision ordinal: 6
pdbx audit revision item.item: _struct_conn.pdbx_dist_value

Structure model,10,6
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 10
pdbx audit revision item.revision ordinal: 6
pdbx audit revision item.item: _struct_conn.pdbx_leaving_atom_flag

Structure model,11,6
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 11
pdbx audit revision item.revision ordinal: 6
pdbx audit revision item.item: _struct_conn.ptnr1_label_atom_id

Structure model,12,6
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 12
pdbx audit revision item.revision ordinal: 6
pdbx audit revision item.item: _struct_conn.ptnr2_auth_comp_id

Structure model,13,6
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 13
pdbx audit revision item.revision ordinal: 6
pdbx audit revision item.item: _struct_conn.ptnr2_auth_seq_id

Structure model,14,6
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 14
pdbx audit revision item.revision ordinal: 6
pdbx audit revision item.item: _struct_conn.ptnr2_label_atom_id

Structure model,15,6
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 15
pdbx audit revision item.revision ordinal: 6
pdbx audit revision item.item: _struct_conn.ptnr2_label_comp_id

Structure model,16,6
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 16
pdbx audit revision item.revision ordinal: 6
pdbx audit revision item.item: _struct_conn.ptnr2_label_seq_id

Structure model,17,6
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 17
pdbx audit revision item.revision ordinal: 6
pdbx audit revision item.item: _struct_site.pdbx_auth_asym_id

Structure model,18,6
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 18
pdbx audit revision item.revision ordinal: 6
pdbx audit revision item.item: _struct_site.pdbx_auth_comp_id

Structure model,19,6
type: pdbx audit revision item
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx audit revision history: Structure model,6
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 19
pdbx audit revision item.revision ordinal: 6
pdbx audit revision item.item: _struct_site.pdbx_auth_seq_id

unspecified,1D8T,PDB
type: pdbx database related
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx database related.content type: unspecified
pdbx database related.db id: 1D8T
pdbx database related.db name: PDB
pdbx database related.details: CRYSTAL STRUCTURE OF THE ELONGATION FACTOR EF-TU-MGGDP COMPLEXED WITH THE THIOPEPTIDE GE2270A.

unspecified,1OLN,PDB
type: pdbx database related
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx database related.content type: unspecified
pdbx database related.db id: 1OLN
pdbx database related.db name: PDB
pdbx database related.details: SOLUTION STRUCTURE OF THIOPEPTIDE THIOSTREPTON BINDING TO L11 SUBSTRATE FROM 50S RIBOSOMAL RNA

unspecified,2C77,PDB
type: pdbx database related
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx database related.content type: unspecified
pdbx database related.db id: 2C77
pdbx database related.db name: PDB
pdbx database related.details: CRYSTAL STRUCTURE OF THE ELONGATION FACTOR EF-TU-GNP COMPLEXED WITH THIOPEPTIDE GE2270A.

unspecified,2JQ7,PDB
type: pdbx database related
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx database related.content type: unspecified
pdbx database related.db id: 2JQ7
pdbx database related.db name: PDB
pdbx database related.details: SOLUTION STRUCTURE OF THE COMPLEX OF THE THIOPEPTIDE THIOSTREPTON AND RIBOSOMAL L11-RNA

unspecified,2ZJP,PDB
type: pdbx database related
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx database related.content type: unspecified
pdbx database related.db id: 2ZJP
pdbx database related.db name: PDB
pdbx database related.details: CRYSTAL STRUCTURE OF NOSIHEPTIDE COMPLEXED WITH THE LARGE RIBOSOMAL SUBUNIT OF DEINOCOCCUS RADIODURANS

unspecified,3CF5,PDB
type: pdbx database related
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx database related.content type: unspecified
pdbx database related.db id: 3CF5
pdbx database related.db name: PDB
pdbx database related.details: CRYSTAL STRUCTURE OF RIBOSOMAL L11-RNA COMPLEXED WITH THE THIOPEPTIDE THIOSTREPTON

1E9W
type: pdbx database status
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entry: 1E9W
pdbx database status.entry id: 1E9W
pdbx database status.deposit site: PDBE
pdbx database status.pdb format compatible: Y
pdbx database status.process site: PDBE
pdbx database status.recvd initial deposition date: 2000-10-27
pdbx database status.status code: REL
pdbx database status.status code sf: REL

http://rdf.wwpdb.org/pdb/1E9W/pdbx_entity_nonpoly/2
type: pdbx entity nonpoly
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity: http://rdf.wwpdb.org/pdb/1E9W/entity/2
pdbx entity nonpoly.entity id: 2
pdbx entity nonpoly.comp id: HOH
pdbx entity nonpoly.name: water

1E9W
type: pdbx entry details
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entry: 1E9W
pdbx entry details.entry id: 1E9W
pdbx entry details.compound details: THIOSTREPTON IS A MEMBER OF A SULPHUR-RICH HETEROCYCLIC PEPTIDES CLASS. ALL SHARE A MACROCYLIC CORE, CONSISTING OF A NITROGEN CONTAINING, SIX-MEMBERED RING CENTRAL TO DEHYDROAMINO ACIDS AND A SUBSET OF FIVE MEMBER RING STRUCTURES INCLUDING THIAZOLES, THIAZOLINES AND OXAZOLES. HERE, THIOSTREPTON IS REPRESENTED BY THE SEQUENCE (SEQRES) GROUP: 1 NAME: THIOSTREPTON CHAIN: A COMPONENT_1: PEPTIDE LIKE SEQUENCE RESIDUES 0 TO 18 DESCRIPTION: THIOSTREPTON IS A HETROCYCLIC THIOPEPTIDE, CONSISTING OF FOUR THIAZOLES ONE THIOZOLINE ONE PIPERIDEINE RINGS. A MODIFIED QUINOLINE LINKED TO MAIN-CHAIN RESIDUE 1 AND SIDE-CHAIN OF RESIDUE 12. THE OBSERVED C-TERMINAL AMINO GROUP NH2(18) IS LIKELY TO BE A POST-TRANSLATIONAL DECARBOXYLATED REMNANT OF A SER C-TERMINAL RESIDUE

http://rdf.wwpdb.org/pdb/1E9W/pdbx_initial_refinement_model/1
type: pdbx initial refinement model
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx initial refinement model.id: 1
pdbx initial refinement model.details: SEE REFERENCE
pdbx initial refinement model.type: other

A,1,PRD 000223
type: pdbx molecule
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
pdbx molecule.asym id: A
pdbx molecule.instance id: 1
pdbx molecule.prd id: PRD_000223

http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
referenced by pdbx molecule: A,1,PRD 000223
referenced by pdbx poly seq scheme: A,1,QUA,1
referenced by pdbx poly seq scheme: A,1,ILE,2
referenced by pdbx poly seq scheme: A,1,ALA,3
referenced by pdbx poly seq scheme: A,1,DHA,4
referenced by pdbx poly seq scheme: A,1,ALA,5
referenced by pdbx poly seq scheme: A,1,SER,6
referenced by pdbx poly seq scheme: A,1,BB9,7
referenced by pdbx poly seq scheme: A,1,THR,8
referenced by pdbx poly seq scheme: A,1,DBU,9
referenced by pdbx poly seq scheme: A,1,DCY,10
referenced by pdbx poly seq scheme: A,1,TS9,11
referenced by pdbx poly seq scheme: A,1,BB9,12
referenced by pdbx poly seq scheme: A,1,THR,13
referenced by pdbx poly seq scheme: A,1,BB9,14
referenced by pdbx poly seq scheme: A,1,MH6,15
referenced by pdbx poly seq scheme: A,1,BB9,16
referenced by pdbx poly seq scheme: A,1,DHA,17
referenced by pdbx poly seq scheme: A,1,DHA,18
referenced by pdbx poly seq scheme: A,1,NH2,19
type: struct asym
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity: http://rdf.wwpdb.org/pdb/1E9W/entity/1
struct asym.id: A
struct asym.entity id: 1
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

PRD_000223
type: pdbx molecule features
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx molecule features.prd id: PRD_000223
pdbx molecule features.class: Antibiotic
pdbx molecule features.details: Thiostrepton is a hetrocyclic thiopeptide belonging to the thiocillin family, consisting of four thiazole, one thiozoline and one piperideine rings. A modified quinoline linked to main-chain residue 1 and side-chain of residue 12. Post translational maturation of thiazole and oxazole containing antibiotics involves the enzymic condensation of a Cys or Ser with the alpha-carbonyl of the preceding amino acid to form a thioether or ether bond, then dehydration to form a double bond with the alpha-amino nitrogen. Thiazoline or oxazoline ring are dehydrogenated to form thiazole or oxazole rings. the pyridinyl involves the cross-linking of a Ser and a Cys-Ser pair usually separated by 7 or 8 residues along the peptide chain. The Ser residues are dehydrated to didehydroalanines, then bonded between their beta carbons. The alpha carbonyl of the Cys condenses with alpha carbon of the first Ser to form a pyridinyl ring. The ring may be mutiply dehydrogenated to form a pyridine ring with loss of the amino nitrogen of the first Ser. The amidation of Ser-17 probably does not occur by the same mechanism, oxidative cleavage of glycine, as in eukaryotes.
pdbx molecule features.name: THIOSTREPTON
pdbx molecule features.type: Thiopeptide

B,1
type: pdbx nonpoly scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 2001
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 2001
pdbx nonpoly scheme.pdb strand id: A

B,2
type: pdbx nonpoly scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 2
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 2002
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 2002
pdbx nonpoly scheme.pdb strand id: A

B,3
type: pdbx nonpoly scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 3
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 2003
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 2003
pdbx nonpoly scheme.pdb strand id: A

B,4
type: pdbx nonpoly scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 4
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 2004
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 2004
pdbx nonpoly scheme.pdb strand id: A

A,1,QUA,1
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,QUA,1
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: QUA
pdbx poly seq scheme.seq id: 1
pdbx poly seq scheme.auth mon id: QUA
pdbx poly seq scheme.auth seq num: 0
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 1
pdbx poly seq scheme.pdb mon id: QUA
pdbx poly seq scheme.pdb seq num: 0
pdbx poly seq scheme.pdb strand id: A

A,1,ILE,2
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,ILE,2
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/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: 2
pdbx poly seq scheme.auth mon id: ILE
pdbx poly seq scheme.auth seq num: 1
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 2
pdbx poly seq scheme.pdb mon id: ILE
pdbx poly seq scheme.pdb seq num: 1
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,3
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,ALA,3
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/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: 3
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 2
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 3
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 2
pdbx poly seq scheme.pdb strand id: A

A,1,DHA,4
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,DHA,4
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DHA
pdbx poly seq scheme.seq id: 4
pdbx poly seq scheme.auth mon id: DHA
pdbx poly seq scheme.auth seq num: 3
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 4
pdbx poly seq scheme.pdb mon id: DHA
pdbx poly seq scheme.pdb seq num: 3
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,5
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,ALA,5
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/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: 5
pdbx poly seq scheme.auth mon id: ALA
pdbx poly seq scheme.auth seq num: 4
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 5
pdbx poly seq scheme.pdb mon id: ALA
pdbx poly seq scheme.pdb seq num: 4
pdbx poly seq scheme.pdb strand id: A

A,1,SER,6
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,SER,6
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/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: 6
pdbx poly seq scheme.auth mon id: SER
pdbx poly seq scheme.auth seq num: 5
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 6
pdbx poly seq scheme.pdb mon id: SER
pdbx poly seq scheme.pdb seq num: 5
pdbx poly seq scheme.pdb strand id: A

A,1,BB9,7
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,BB9,7
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: BB9
pdbx poly seq scheme.seq id: 7
pdbx poly seq scheme.auth mon id: BB9
pdbx poly seq scheme.auth seq num: 6
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 7
pdbx poly seq scheme.pdb mon id: BB9
pdbx poly seq scheme.pdb seq num: 6
pdbx poly seq scheme.pdb strand id: A

A,1,THR,8
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,THR,8
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/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: 8
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 7
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 8
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 7
pdbx poly seq scheme.pdb strand id: A

A,1,DBU,9
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,DBU,9
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DBU
pdbx poly seq scheme.seq id: 9
pdbx poly seq scheme.auth mon id: DBU
pdbx poly seq scheme.auth seq num: 8
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 9
pdbx poly seq scheme.pdb mon id: DBU
pdbx poly seq scheme.pdb seq num: 8
pdbx poly seq scheme.pdb strand id: A

A,1,DCY,10
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,DCY,10
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DCY
pdbx poly seq scheme.seq id: 10
pdbx poly seq scheme.auth mon id: DCY
pdbx poly seq scheme.auth seq num: 9
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 10
pdbx poly seq scheme.pdb mon id: DCY
pdbx poly seq scheme.pdb seq num: 9
pdbx poly seq scheme.pdb strand id: A

A,1,TS9,11
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,TS9,11
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TS9
pdbx poly seq scheme.seq id: 11
pdbx poly seq scheme.auth mon id: TS9
pdbx poly seq scheme.auth seq num: 10
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 11
pdbx poly seq scheme.pdb mon id: TS9
pdbx poly seq scheme.pdb seq num: 10
pdbx poly seq scheme.pdb strand id: A

A,1,BB9,12
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,BB9,12
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: BB9
pdbx poly seq scheme.seq id: 12
pdbx poly seq scheme.auth mon id: BB9
pdbx poly seq scheme.auth seq num: 11
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 12
pdbx poly seq scheme.pdb mon id: BB9
pdbx poly seq scheme.pdb seq num: 11
pdbx poly seq scheme.pdb strand id: A

A,1,THR,13
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,THR,13
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/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: 13
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 12
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 13
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 12
pdbx poly seq scheme.pdb strand id: A

A,1,BB9,14
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,BB9,14
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: BB9
pdbx poly seq scheme.seq id: 14
pdbx poly seq scheme.auth mon id: BB9
pdbx poly seq scheme.auth seq num: 13
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 14
pdbx poly seq scheme.pdb mon id: BB9
pdbx poly seq scheme.pdb seq num: 13
pdbx poly seq scheme.pdb strand id: A

A,1,MH6,15
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,MH6,15
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: MH6
pdbx poly seq scheme.seq id: 15
pdbx poly seq scheme.auth mon id: MH6
pdbx poly seq scheme.auth seq num: 14
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 15
pdbx poly seq scheme.pdb mon id: MH6
pdbx poly seq scheme.pdb seq num: 14
pdbx poly seq scheme.pdb strand id: A

A,1,BB9,16
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,BB9,16
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: BB9
pdbx poly seq scheme.seq id: 16
pdbx poly seq scheme.auth mon id: BB9
pdbx poly seq scheme.auth seq num: 15
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 16
pdbx poly seq scheme.pdb mon id: BB9
pdbx poly seq scheme.pdb seq num: 15
pdbx poly seq scheme.pdb strand id: A

A,1,DHA,17
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,DHA,17
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DHA
pdbx poly seq scheme.seq id: 17
pdbx poly seq scheme.auth mon id: DHA
pdbx poly seq scheme.auth seq num: 16
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 17
pdbx poly seq scheme.pdb mon id: DHA
pdbx poly seq scheme.pdb seq num: 16
pdbx poly seq scheme.pdb strand id: A

A,1,DHA,18
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,DHA,18
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DHA
pdbx poly seq scheme.seq id: 18
pdbx poly seq scheme.auth mon id: DHA
pdbx poly seq scheme.auth seq num: 17
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 18
pdbx poly seq scheme.pdb mon id: DHA
pdbx poly seq scheme.pdb seq num: 17
pdbx poly seq scheme.pdb strand id: A

A,1,NH2,19
type: pdbx poly seq scheme
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity poly seq: 1,NH2,19
reference to struct asym: http://rdf.wwpdb.org/pdb/1E9W/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: NH2
pdbx poly seq scheme.seq id: 19
pdbx poly seq scheme.auth mon id: NH2
pdbx poly seq scheme.auth seq num: 18
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 19
pdbx poly seq scheme.pdb mon id: NH2
pdbx poly seq scheme.pdb seq num: 18
pdbx poly seq scheme.pdb strand id: A

1E9W,X-RAY DIFFRACTION
type: pdbx refine
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entry: 1E9W
pdbx refine.entry id: 1E9W
pdbx refine.pdbx refine id: X-RAY DIFFRACTION
pdbx refine.r factor all 4sig cutoff: 0.1069
pdbx refine.r factor all no cutoff: 0.1122
pdbx refine.r factor obs 4sig cutoff: 0.1071
pdbx refine.r factor obs no cutoff: 0.1124
pdbx refine.free r factor 4sig cutoff: 0.1362
pdbx refine.free r factor no cutoff: 0.1423
pdbx refine.free r val test set ct 4sig cutoff: 755
pdbx refine.free r val test set ct no cutoff: 825
pdbx refine.free r val test set size perc 4sig cutoff: 9.8
pdbx refine.free r val test set size perc no cutoff: 9.8
pdbx refine.number reflns obs 4sig cutoff: 7729

http://rdf.wwpdb.org/pdb/1E9W/pdbx_struct_assembly/1
type: pdbx struct assembly
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx struct assembly.id: 1
pdbx struct assembly.details: 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,1

1,A,B,1
type: pdbx struct assembly gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/1E9W/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A,B
pdbx struct assembly gen.oper expression: 1

http://rdf.wwpdb.org/pdb/1E9W/pdbx_struct_mod_residue/1
type: pdbx struct mod residue
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx struct mod residue.id: 1
pdbx struct mod residue.auth asym id: A
pdbx struct mod residue.auth comp id: DHA
pdbx struct mod residue.auth seq id: 3
pdbx struct mod residue.details: 2-AMINO-ACRYLIC ACID
pdbx struct mod residue.label asym id: A
pdbx struct mod residue.label comp id: DHA
pdbx struct mod residue.label seq id: 4
pdbx struct mod residue.parent comp id: SER

http://rdf.wwpdb.org/pdb/1E9W/pdbx_struct_mod_residue/2
type: pdbx struct mod residue
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx struct mod residue.id: 2
pdbx struct mod residue.auth asym id: A
pdbx struct mod residue.auth comp id: BB9
pdbx struct mod residue.auth seq id: 6
pdbx struct mod residue.label asym id: A
pdbx struct mod residue.label comp id: BB9
pdbx struct mod residue.label seq id: 7
pdbx struct mod residue.parent comp id: CYS

http://rdf.wwpdb.org/pdb/1E9W/pdbx_struct_mod_residue/3
type: pdbx struct mod residue
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx struct mod residue.id: 3
pdbx struct mod residue.auth asym id: A
pdbx struct mod residue.auth comp id: DBU
pdbx struct mod residue.auth seq id: 8
pdbx struct mod residue.details: (2Z)-2-AMINOBUT-2-ENOIC ACID
pdbx struct mod residue.label asym id: A
pdbx struct mod residue.label comp id: DBU
pdbx struct mod residue.label seq id: 9
pdbx struct mod residue.parent comp id: THR

http://rdf.wwpdb.org/pdb/1E9W/pdbx_struct_mod_residue/4
type: pdbx struct mod residue
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx struct mod residue.id: 4
pdbx struct mod residue.auth asym id: A
pdbx struct mod residue.auth comp id: TS9
pdbx struct mod residue.auth seq id: 10
pdbx struct mod residue.label asym id: A
pdbx struct mod residue.label comp id: TS9
pdbx struct mod residue.label seq id: 11
pdbx struct mod residue.parent comp id: ILE

http://rdf.wwpdb.org/pdb/1E9W/pdbx_struct_mod_residue/5
type: pdbx struct mod residue
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx struct mod residue.id: 5
pdbx struct mod residue.auth asym id: A
pdbx struct mod residue.auth comp id: BB9
pdbx struct mod residue.auth seq id: 11
pdbx struct mod residue.label asym id: A
pdbx struct mod residue.label comp id: BB9
pdbx struct mod residue.label seq id: 12
pdbx struct mod residue.parent comp id: CYS

http://rdf.wwpdb.org/pdb/1E9W/pdbx_struct_mod_residue/6
type: pdbx struct mod residue
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx struct mod residue.id: 6
pdbx struct mod residue.auth asym id: A
pdbx struct mod residue.auth comp id: BB9
pdbx struct mod residue.auth seq id: 13
pdbx struct mod residue.label asym id: A
pdbx struct mod residue.label comp id: BB9
pdbx struct mod residue.label seq id: 14
pdbx struct mod residue.parent comp id: CYS

http://rdf.wwpdb.org/pdb/1E9W/pdbx_struct_mod_residue/7
type: pdbx struct mod residue
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx struct mod residue.id: 7
pdbx struct mod residue.auth asym id: A
pdbx struct mod residue.auth comp id: MH6
pdbx struct mod residue.auth seq id: 14
pdbx struct mod residue.details: 3-HYDROXY-2-IMINOPROPANOIC ACID
pdbx struct mod residue.label asym id: A
pdbx struct mod residue.label comp id: MH6
pdbx struct mod residue.label seq id: 15
pdbx struct mod residue.parent comp id: SER

http://rdf.wwpdb.org/pdb/1E9W/pdbx_struct_mod_residue/8
type: pdbx struct mod residue
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx struct mod residue.id: 8
pdbx struct mod residue.auth asym id: A
pdbx struct mod residue.auth comp id: BB9
pdbx struct mod residue.auth seq id: 15
pdbx struct mod residue.label asym id: A
pdbx struct mod residue.label comp id: BB9
pdbx struct mod residue.label seq id: 16
pdbx struct mod residue.parent comp id: CYS

http://rdf.wwpdb.org/pdb/1E9W/pdbx_struct_mod_residue/9
type: pdbx struct mod residue
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx struct mod residue.id: 9
pdbx struct mod residue.auth asym id: A
pdbx struct mod residue.auth comp id: DHA
pdbx struct mod residue.auth seq id: 16
pdbx struct mod residue.details: 2-AMINO-ACRYLIC ACID
pdbx struct mod residue.label asym id: A
pdbx struct mod residue.label comp id: DHA
pdbx struct mod residue.label seq id: 17
pdbx struct mod residue.parent comp id: SER

http://rdf.wwpdb.org/pdb/1E9W/pdbx_struct_mod_residue/10
type: pdbx struct mod residue
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx struct mod residue.id: 10
pdbx struct mod residue.auth asym id: A
pdbx struct mod residue.auth comp id: DHA
pdbx struct mod residue.auth seq id: 17
pdbx struct mod residue.details: 2-AMINO-ACRYLIC ACID
pdbx struct mod residue.label asym id: A
pdbx struct mod residue.label comp id: DHA
pdbx struct mod residue.label seq id: 18
pdbx struct mod residue.parent comp id: SER

http://rdf.wwpdb.org/pdb/1E9W/pdbx_struct_oper_list/1
type: pdbx struct oper list
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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

http://rdf.wwpdb.org/pdb/1E9W/pdbx_struct_special_symmetry/1
type: pdbx struct special symmetry
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx struct special symmetry.id: 1
pdbx struct special symmetry.pdb model num: 1
pdbx struct special symmetry.auth asym id: A
pdbx struct special symmetry.auth comp id: HOH
pdbx struct special symmetry.auth seq id: 2001
pdbx struct special symmetry.label asym id: B
pdbx struct special symmetry.label comp id: HOH

http://rdf.wwpdb.org/pdb/1E9W/pdbx_struct_special_symmetry/2
type: pdbx struct special symmetry
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx struct special symmetry.id: 2
pdbx struct special symmetry.pdb model num: 1
pdbx struct special symmetry.auth asym id: A
pdbx struct special symmetry.auth comp id: HOH
pdbx struct special symmetry.auth seq id: 2002
pdbx struct special symmetry.label asym id: B
pdbx struct special symmetry.label comp id: HOH

http://rdf.wwpdb.org/pdb/1E9W/pdbx_validate_rmsd_bond/1
type: pdbx validate rmsd bond
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
pdbx validate rmsd bond.id: 1
pdbx validate rmsd bond.pdb model num: 1
pdbx validate rmsd bond.auth asym id 1: A
pdbx validate rmsd bond.auth asym id 2: A
pdbx validate rmsd bond.auth atom id 1: C
pdbx validate rmsd bond.auth atom id 2: N
pdbx validate rmsd bond.auth comp id 1: BB9
pdbx validate rmsd bond.auth comp id 2: MH6
pdbx validate rmsd bond.auth seq id 1: 13
pdbx validate rmsd bond.auth seq id 2: 14
pdbx validate rmsd bond.bond deviation: 0.139
pdbx validate rmsd bond.bond standard deviation: 0.023
pdbx validate rmsd bond.bond target value: 1.336
pdbx validate rmsd bond.bond value: 1.475
pdbx validate rmsd bond.linker flag: Y

http://rdf.wwpdb.org/pdb/1E9W/pdbx_validate_torsion/1
type: pdbx validate torsion
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: SER
pdbx validate torsion.auth seq id: 5
pdbx validate torsion.phi: 71.84
pdbx validate torsion.psi: 80.87

http://rdf.wwpdb.org/pdb/1E9W/pdbx_validate_torsion/2
type: pdbx validate torsion
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: DCY
pdbx validate torsion.auth seq id: 9
pdbx validate torsion.phi: -147.29
pdbx validate torsion.psi: -14.74

http://rdf.wwpdb.org/pdb/1E9W/pdbx_validate_torsion/3
type: pdbx validate torsion
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: TS9
pdbx validate torsion.auth seq id: 10
pdbx validate torsion.phi: -107.46
pdbx validate torsion.psi: -65.52

1E9W,X-RAY DIFFRACTION
type: refine
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entry: 1E9W
refine.entry id: 1E9W
refine.pdbx refine id: X-RAY DIFFRACTION
refine.ls r factor r free: 0.1423
refine.ls r factor all: 0.1122
refine.ls r factor obs: 0.1124
refine.ls d res high: 1.02
refine.ls d res low: 50
refine.ls number parameters: 1057
refine.ls number reflns r free: 825
refine.ls number reflns all: 8391
refine.ls number restraints: 1023
refine.ls percent reflns r free: 9.8
refine.ls percent reflns obs: 96.7
refine.pdbx r free selection details: RANDOM
refine.pdbx diffrn id: 1
refine.pdbx ls cross valid method: FREE R-VALUE
refine.pdbx ls sigma f: 0
refine.pdbx method to determine struct: MOLECULAR REPLACEMENT
refine.pdbx starting model: SEE REFERENCE
refine.pdbx stereochem target val spec case: RESIDUE 16 RESTRAINED USING GEOMETRY DERIVED FROM CSD (SEE REFERENCE)
refine.pdbx stereochemistry target values: ENGH AND HUBER
refine.solvent model details: MOEWS & KRETSINGER, J.MOL.BIOL.91(1973)201-2

1E9W,X-RAY DIFFRACTION
type: refine analyze
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entry: 1E9W
refine analyze.entry id: 1E9W
refine analyze.pdbx refine id: X-RAY DIFFRACTION
refine analyze.number disordered residues: 0
refine analyze.occupancy sum hydrogen: 0
refine analyze.occupancy sum non hydrogen: 115.33

LAST,X-RAY DIFFRACTION
type: refine hist
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
refine hist.cycle id: LAST
refine hist.pdbx refine id: X-RAY DIFFRACTION
refine hist.d res high: 1.02
refine hist.d res low: 50
refine hist.number atoms solvent: 4
refine hist.number atoms total: 118
refine hist.pdbx number atoms ligand: 0
refine hist.pdbx number atoms nucleic acid: 0
refine hist.pdbx number atoms protein: 114

X-RAY DIFFRACTION,s bond d
type: refine ls restr
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: s_bond_d
refine ls restr.dev ideal: 0.019

X-RAY DIFFRACTION,s angle d
type: refine ls restr
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: s_angle_d
refine ls restr.dev ideal: 0.047

X-RAY DIFFRACTION,s similar dist
type: refine ls restr
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: s_similar_dist
refine ls restr.dev ideal: 0

X-RAY DIFFRACTION,s from restr planes
type: refine ls restr
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: s_from_restr_planes
refine ls restr.dev ideal: 0.0001

X-RAY DIFFRACTION,s zero chiral vol
type: refine ls restr
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: s_zero_chiral_vol
refine ls restr.dev ideal: 0

X-RAY DIFFRACTION,s non zero chiral vol
type: refine ls restr
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: s_non_zero_chiral_vol
refine ls restr.dev ideal: 0

X-RAY DIFFRACTION,s anti bump dis restr
type: refine ls restr
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: s_anti_bump_dis_restr
refine ls restr.dev ideal: 0.051

X-RAY DIFFRACTION,s rigid bond adp cmpnt
type: refine ls restr
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: s_rigid_bond_adp_cmpnt
refine ls restr.dev ideal: 0.007

X-RAY DIFFRACTION,s similar adp cmpnt
type: refine ls restr
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: s_similar_adp_cmpnt
refine ls restr.dev ideal: 0.037

X-RAY DIFFRACTION,s approx iso adps
type: refine ls restr
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: s_approx_iso_adps
refine ls restr.dev ideal: 0

http://rdf.wwpdb.org/pdb/1E9W/reflns/1
type: reflns
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entry: 1E9W
reflns.pdbx ordinal: 1
reflns.d resolution high: 1.02
reflns.d resolution low: 50
reflns.entry id: 1E9W
reflns.number obs: 5232
reflns.pdbx rmerge i obs: 0.033
reflns.pdbx diffrn id: 1
reflns.pdbx net i over sigma i: 33.8
reflns.pdbx redundancy: 4.3
reflns.percent possible obs: 96.7

http://rdf.wwpdb.org/pdb/1E9W/reflns_shell/1
type: reflns shell
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reflns shell.pdbx ordinal: 1
reflns shell.rmerge i obs: 0.152
reflns shell.d res high: 1.02
reflns shell.d res low: 1.04
reflns shell.mean i over sig i obs: 5.4
reflns shell.pdbx diffrn id: 1
reflns shell.percent possible all: 74.6

http://rdf.wwpdb.org/pdb/1E9W/software/1
type: software
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
software.pdbx ordinal: 1
software.classification: refinement
software.name: SHELXL-97

http://rdf.wwpdb.org/pdb/1E9W/software/2
type: software
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
software.pdbx ordinal: 2
software.classification: data reduction
software.name: DENZO

http://rdf.wwpdb.org/pdb/1E9W/software/3
type: software
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
software.pdbx ordinal: 3
software.classification: data scaling
software.name: SCALEPACK

http://rdf.wwpdb.org/pdb/1E9W/software/4
type: software
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
software.pdbx ordinal: 4
software.classification: phasing
software.name: SHELX

1E9W
type: struct
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entry: 1E9W
struct.entry id: 1E9W
struct.title: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur

http://rdf.wwpdb.org/pdb/1E9W/struct_asym/B
type: struct asym
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity: http://rdf.wwpdb.org/pdb/1E9W/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/1E9W/struct_biol/1
type: struct biol
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
struct biol.id: 1

covale1
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale1
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.499
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: QUA
struct conn.ptnr1 auth seq id: 0
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C7
struct conn.ptnr1 label comp id: QUA
struct conn.ptnr1 label seq id: 1
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: ILE
struct conn.ptnr2 auth seq id: 1
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: ILE
struct conn.ptnr2 label seq id: 2
struct conn.ptnr2 symmetry: 1_555

covale
referenced by struct conn: covale1
referenced by struct conn: covale2
referenced by struct conn: covale3
referenced by struct conn: covale4
referenced by struct conn: covale5
referenced by struct conn: covale6
referenced by struct conn: covale7
referenced by struct conn: covale8
referenced by struct conn: covale9
referenced by struct conn: covale10
referenced by struct conn: covale11
referenced by struct conn: covale12
referenced by struct conn: covale13
referenced by struct conn: covale14
referenced by struct conn: covale15
referenced by struct conn: covale16
referenced by struct conn: covale17
referenced by struct conn: covale18
referenced by struct conn: covale19
referenced by struct conn: covale20
referenced by struct conn: covale21
referenced by struct conn: covale22
referenced by struct conn: covale23
referenced by struct conn: covale24
type: struct conn type
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
struct conn type.id: covale

covale2
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale2
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.329
struct conn.pdbx leaving atom flag: one
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: QUA
struct conn.ptnr1 auth seq id: 0
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C11
struct conn.ptnr1 label comp id: QUA
struct conn.ptnr1 label seq id: 1
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: THR
struct conn.ptnr2 auth seq id: 12
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: OG1
struct conn.ptnr2 label comp id: THR
struct conn.ptnr2 label seq id: 13
struct conn.ptnr2 symmetry: 1_555

covale3
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale3
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.383
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: ALA
struct conn.ptnr1 auth seq id: 2
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: ALA
struct conn.ptnr1 label seq id: 3
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DHA
struct conn.ptnr2 auth seq id: 3
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: DHA
struct conn.ptnr2 label seq id: 4
struct conn.ptnr2 symmetry: 1_555

covale4
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale4
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.348
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DHA
struct conn.ptnr1 auth seq id: 3
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DHA
struct conn.ptnr1 label seq id: 4
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: ALA
struct conn.ptnr2 auth seq id: 4
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: ALA
struct conn.ptnr2 label seq id: 5
struct conn.ptnr2 symmetry: 1_555

covale5
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale5
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.752
struct conn.pdbx leaving atom flag: one
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: SER
struct conn.ptnr1 auth seq id: 5
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: SER
struct conn.ptnr1 label seq id: 6
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: BB9
struct conn.ptnr2 auth seq id: 6
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: SG
struct conn.ptnr2 label comp id: BB9
struct conn.ptnr2 label seq id: 7
struct conn.ptnr2 symmetry: 1_555

covale6
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale6
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.305
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: SER
struct conn.ptnr1 auth seq id: 5
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: SER
struct conn.ptnr1 label seq id: 6
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: BB9
struct conn.ptnr2 auth seq id: 6
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: BB9
struct conn.ptnr2 label seq id: 7
struct conn.ptnr2 symmetry: 1_555

covale7
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale7
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.575
struct conn.pdbx leaving atom flag: one
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: SER
struct conn.ptnr1 auth seq id: 5
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: CA
struct conn.ptnr1 label comp id: SER
struct conn.ptnr1 label seq id: 6
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: BB9
struct conn.ptnr2 auth seq id: 13
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: C
struct conn.ptnr2 label comp id: BB9
struct conn.ptnr2 label seq id: 14
struct conn.ptnr2 symmetry: 1_555

covale8
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale8
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.523
struct conn.pdbx leaving atom flag: one
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: SER
struct conn.ptnr1 auth seq id: 5
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: CB
struct conn.ptnr1 label comp id: SER
struct conn.ptnr1 label seq id: 6
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: MH6
struct conn.ptnr2 auth seq id: 14
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: CB
struct conn.ptnr2 label comp id: MH6
struct conn.ptnr2 label seq id: 15
struct conn.ptnr2 symmetry: 1_555

covale9
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale9
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.322
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: BB9
struct conn.ptnr1 auth seq id: 6
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: BB9
struct conn.ptnr1 label seq id: 7
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: THR
struct conn.ptnr2 auth seq id: 7
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: THR
struct conn.ptnr2 label seq id: 8
struct conn.ptnr2 symmetry: 1_555

covale10
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale10
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.353
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: THR
struct conn.ptnr1 auth seq id: 7
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: THR
struct conn.ptnr1 label seq id: 8
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DBU
struct conn.ptnr2 auth seq id: 8
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: DBU
struct conn.ptnr2 label seq id: 9
struct conn.ptnr2 symmetry: 1_555

covale11
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale11
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.75
struct conn.pdbx leaving atom flag: one
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DBU
struct conn.ptnr1 auth seq id: 8
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DBU
struct conn.ptnr1 label seq id: 9
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DCY
struct conn.ptnr2 auth seq id: 9
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: SG
struct conn.ptnr2 label comp id: DCY
struct conn.ptnr2 label seq id: 10
struct conn.ptnr2 symmetry: 1_555

covale12
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale12
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.293
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DBU
struct conn.ptnr1 auth seq id: 8
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DBU
struct conn.ptnr1 label seq id: 9
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DCY
struct conn.ptnr2 auth seq id: 9
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: DCY
struct conn.ptnr2 label seq id: 10
struct conn.ptnr2 symmetry: 1_555

covale13
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale13
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.328
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DCY
struct conn.ptnr1 auth seq id: 9
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DCY
struct conn.ptnr1 label seq id: 10
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: TS9
struct conn.ptnr2 auth seq id: 10
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: TS9
struct conn.ptnr2 label seq id: 11
struct conn.ptnr2 symmetry: 1_555

covale14
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale14
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.75
struct conn.pdbx leaving atom flag: one
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: TS9
struct conn.ptnr1 auth seq id: 10
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: TS9
struct conn.ptnr1 label seq id: 11
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: BB9
struct conn.ptnr2 auth seq id: 11
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: SG
struct conn.ptnr2 label comp id: BB9
struct conn.ptnr2 label seq id: 12
struct conn.ptnr2 symmetry: 1_555

covale15
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale15
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.279
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: TS9
struct conn.ptnr1 auth seq id: 10
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: TS9
struct conn.ptnr1 label seq id: 11
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: BB9
struct conn.ptnr2 auth seq id: 11
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: BB9
struct conn.ptnr2 label seq id: 12
struct conn.ptnr2 symmetry: 1_555

covale16
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale16
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.359
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: BB9
struct conn.ptnr1 auth seq id: 11
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: BB9
struct conn.ptnr1 label seq id: 12
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: THR
struct conn.ptnr2 auth seq id: 12
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: THR
struct conn.ptnr2 label seq id: 13
struct conn.ptnr2 symmetry: 1_555

covale17
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale17
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.709
struct conn.pdbx leaving atom flag: one
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: THR
struct conn.ptnr1 auth seq id: 12
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: THR
struct conn.ptnr1 label seq id: 13
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: BB9
struct conn.ptnr2 auth seq id: 13
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: SG
struct conn.ptnr2 label comp id: BB9
struct conn.ptnr2 label seq id: 14
struct conn.ptnr2 symmetry: 1_555

covale18
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale18
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.292
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: THR
struct conn.ptnr1 auth seq id: 12
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: THR
struct conn.ptnr1 label seq id: 13
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: BB9
struct conn.ptnr2 auth seq id: 13
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: BB9
struct conn.ptnr2 label seq id: 14
struct conn.ptnr2 symmetry: 1_555

covale19
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale19
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.475
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: BB9
struct conn.ptnr1 auth seq id: 13
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: BB9
struct conn.ptnr1 label seq id: 14
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: MH6
struct conn.ptnr2 auth seq id: 14
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: MH6
struct conn.ptnr2 label seq id: 15
struct conn.ptnr2 symmetry: 1_555

covale20
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale20
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.65
struct conn.pdbx leaving atom flag: one
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: MH6
struct conn.ptnr1 auth seq id: 14
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: MH6
struct conn.ptnr1 label seq id: 15
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: BB9
struct conn.ptnr2 auth seq id: 15
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: SG
struct conn.ptnr2 label comp id: BB9
struct conn.ptnr2 label seq id: 16
struct conn.ptnr2 symmetry: 1_555

covale21
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale21
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.3
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: MH6
struct conn.ptnr1 auth seq id: 14
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: MH6
struct conn.ptnr1 label seq id: 15
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: BB9
struct conn.ptnr2 auth seq id: 15
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: BB9
struct conn.ptnr2 label seq id: 16
struct conn.ptnr2 symmetry: 1_555

covale22
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale22
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.38
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: BB9
struct conn.ptnr1 auth seq id: 15
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: BB9
struct conn.ptnr1 label seq id: 16
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DHA
struct conn.ptnr2 auth seq id: 16
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: DHA
struct conn.ptnr2 label seq id: 17
struct conn.ptnr2 symmetry: 1_555

covale23
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale23
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.229
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DHA
struct conn.ptnr1 auth seq id: 16
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DHA
struct conn.ptnr1 label seq id: 17
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DHA
struct conn.ptnr2 auth seq id: 17
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: DHA
struct conn.ptnr2 label seq id: 18
struct conn.ptnr2 symmetry: 1_555

covale24
type: struct conn
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct conn type: covale
struct conn.id: covale24
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.35
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DHA
struct conn.ptnr1 auth seq id: 17
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DHA
struct conn.ptnr1 label seq id: 18
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: NH2
struct conn.ptnr2 auth seq id: 18
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: NH2
struct conn.ptnr2 label seq id: 19
struct conn.ptnr2 symmetry: 1_555

1E9W
type: struct keywords
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entry: 1E9W
struct keywords.entry id: 1E9W
struct keywords.pdbx keywords: ANTIBIOTIC
struct keywords.text: ANTIBIOTIC, THIOPEPTIDE, ANTIBACTERIAL, THIAZOLE, THIAZOLINE, OXAZOLE, RIBOSOME, TRANSLATION INHIBITION

http://rdf.wwpdb.org/pdb/1E9W/struct_ref/1
type: struct ref
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entity: http://rdf.wwpdb.org/pdb/1E9W/entity/1
struct ref.id: 1
struct ref.db code: THCL_STRAJ
struct ref.db name: UNP
struct ref.entity id: 1
struct ref.pdbx db accession: P0C8P8
link to uniprot: uniprot:P0C8P8
referenced by struct ref seq: http://rdf.wwpdb.org/pdb/1E9W/struct_ref_seq/1

uniprot:P0C8P8

http://rdf.wwpdb.org/pdb/1E9W/struct_ref_seq/1
type: struct ref seq
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct ref: http://rdf.wwpdb.org/pdb/1E9W/struct_ref/1
struct ref seq.align id: 1
struct ref seq.db align beg: 1
struct ref seq.db align end: 17
struct ref seq.pdbx PDB id code: 1E9W
struct ref seq.pdbx auth seq align beg: 1
struct ref seq.pdbx auth seq align end: 17
struct ref seq.pdbx db accession: P0C8P8
struct ref seq.pdbx strand id: A
struct ref seq.ref id: 1
struct ref seq.seq align beg: 2
struct ref seq.seq align end: 18

AC1
type: struct site
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
struct site.id: AC1
struct site.details: BINDING SITE FOR RESIDUE QUA A 0
struct site.pdbx auth asym id: A
struct site.pdbx auth comp id: QUA
struct site.pdbx auth seq id: 0
struct site.pdbx evidence code: Software
struct site.pdbx num residues: 15
referenced by struct site gen: 15,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
referenced by struct site gen: 5,AC1
referenced by struct site gen: 6,AC1
referenced by struct site gen: 7,AC1
referenced by struct site gen: 8,AC1
referenced by struct site gen: 9,AC1
referenced by struct site gen: 10,AC1
referenced by struct site gen: 11,AC1
referenced by struct site gen: 12,AC1
referenced by struct site gen: 13,AC1
referenced by struct site gen: 14,AC1

AC2
type: struct site
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
struct site.id: AC2
struct site.details: BINDING SITE FOR RESIDUE NH2 A 18
struct site.pdbx auth asym id: A
struct site.pdbx auth comp id: NH2
struct site.pdbx auth seq id: 18
struct site.pdbx evidence code: Software
struct site.pdbx num residues: 3
referenced by struct site gen: 18,AC2
referenced by struct site gen: 16,AC2
referenced by struct site gen: 17,AC2

AC3
type: struct site
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
struct site.id: AC3
struct site.details: BINDING SITE FOR CHAIN A OF THIOSTREPTON
struct site.pdbx evidence code: Software
struct site.pdbx num residues: 11
referenced by struct site gen: 29,AC3
referenced by struct site gen: 19,AC3
referenced by struct site gen: 20,AC3
referenced by struct site gen: 21,AC3
referenced by struct site gen: 22,AC3
referenced by struct site gen: 23,AC3
referenced by struct site gen: 24,AC3
referenced by struct site gen: 25,AC3
referenced by struct site gen: 26,AC3
referenced by struct site gen: 27,AC3
referenced by struct site gen: 28,AC3

1,AC1
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: ILE
struct site gen.auth seq id: 1
struct site gen.label asym id: A
struct site gen.label comp id: ILE
struct site gen.label seq id: 2
struct site gen.pdbx num res: 15
struct site gen.symmetry: 1_555

2,AC1
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: ALA
struct site gen.auth seq id: 2
struct site gen.label asym id: A
struct site gen.label comp id: ALA
struct site gen.label seq id: 3
struct site gen.pdbx num res: 15
struct site gen.symmetry: 1_555

3,AC1
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: DHA
struct site gen.auth seq id: 3
struct site gen.label asym id: A
struct site gen.label comp id: DHA
struct site gen.label seq id: 4
struct site gen.pdbx num res: 15
struct site gen.symmetry: 1_555

4,AC1
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: DHA
struct site gen.auth seq id: 3
struct site gen.label asym id: A
struct site gen.label comp id: DHA
struct site gen.label seq id: 4
struct site gen.pdbx num res: 15
struct site gen.symmetry: 3_554

5,AC1
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
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: ALA
struct site gen.auth seq id: 4
struct site gen.label asym id: A
struct site gen.label comp id: ALA
struct site gen.label seq id: 5
struct site gen.pdbx num res: 15
struct site gen.symmetry: 3_554

6,AC1
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC1
struct site gen.id: 6
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: ALA
struct site gen.auth seq id: 4
struct site gen.label asym id: A
struct site gen.label comp id: ALA
struct site gen.label seq id: 5
struct site gen.pdbx num res: 15
struct site gen.symmetry: 1_555

7,AC1
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC1
struct site gen.id: 7
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: SER
struct site gen.auth seq id: 5
struct site gen.label asym id: A
struct site gen.label comp id: SER
struct site gen.label seq id: 6
struct site gen.pdbx num res: 15
struct site gen.symmetry: 1_555

8,AC1
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC1
struct site gen.id: 8
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: BB9
struct site gen.auth seq id: 6
struct site gen.label asym id: A
struct site gen.label comp id: BB9
struct site gen.label seq id: 7
struct site gen.pdbx num res: 15
struct site gen.symmetry: 1_555

9,AC1
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC1
struct site gen.id: 9
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: THR
struct site gen.auth seq id: 7
struct site gen.label asym id: A
struct site gen.label comp id: THR
struct site gen.label seq id: 8
struct site gen.pdbx num res: 15
struct site gen.symmetry: 1_555

10,AC1
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC1
struct site gen.id: 10
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: TS9
struct site gen.auth seq id: 10
struct site gen.label asym id: A
struct site gen.label comp id: TS9
struct site gen.label seq id: 11
struct site gen.pdbx num res: 15
struct site gen.symmetry: 1_555

11,AC1
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC1
struct site gen.id: 11
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: BB9
struct site gen.auth seq id: 11
struct site gen.label asym id: A
struct site gen.label comp id: BB9
struct site gen.label seq id: 12
struct site gen.pdbx num res: 15
struct site gen.symmetry: 6_465

12,AC1
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC1
struct site gen.id: 12
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: THR
struct site gen.auth seq id: 12
struct site gen.label asym id: A
struct site gen.label comp id: THR
struct site gen.label seq id: 13
struct site gen.pdbx num res: 15
struct site gen.symmetry: 1_555

13,AC1
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC1
struct site gen.id: 13
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: BB9
struct site gen.auth seq id: 13
struct site gen.label asym id: A
struct site gen.label comp id: BB9
struct site gen.label seq id: 14
struct site gen.pdbx num res: 15
struct site gen.symmetry: 1_555

14,AC1
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC1
struct site gen.id: 14
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: NH2
struct site gen.auth seq id: 18
struct site gen.label asym id: A
struct site gen.label comp id: NH2
struct site gen.label seq id: 19
struct site gen.pdbx num res: 15
struct site gen.symmetry: 6_455

15,AC1
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC1
struct site gen.id: 15
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: 2004
struct site gen.label asym id: B
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 15
struct site gen.symmetry: 1_555

16,AC2
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC2
struct site gen.id: 16
struct site gen.site id: AC2
struct site gen.auth asym id: A
struct site gen.auth comp id: QUA
struct site gen.auth seq id: 0
struct site gen.label asym id: A
struct site gen.label comp id: QUA
struct site gen.label seq id: 1
struct site gen.pdbx num res: 3
struct site gen.symmetry: 6_555

17,AC2
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC2
struct site gen.id: 17
struct site gen.site id: AC2
struct site gen.auth asym id: A
struct site gen.auth comp id: BB9
struct site gen.auth seq id: 6
struct site gen.label asym id: A
struct site gen.label comp id: BB9
struct site gen.label seq id: 7
struct site gen.pdbx num res: 3
struct site gen.symmetry: 7_555

18,AC2
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC2
struct site gen.id: 18
struct site gen.site id: AC2
struct site gen.auth asym id: A
struct site gen.auth comp id: DHA
struct site gen.auth seq id: 17
struct site gen.label asym id: A
struct site gen.label comp id: DHA
struct site gen.label seq id: 18
struct site gen.pdbx num res: 3
struct site gen.symmetry: 1_555

19,AC3
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC3
struct site gen.id: 19
struct site gen.site id: AC3
struct site gen.auth asym id: A
struct site gen.auth comp id: QUA
struct site gen.auth seq id: 0
struct site gen.label asym id: A
struct site gen.label comp id: QUA
struct site gen.label seq id: 1
struct site gen.pdbx num res: 11
struct site gen.symmetry: 1_555

20,AC3
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC3
struct site gen.id: 20
struct site gen.site id: AC3
struct site gen.auth asym id: A
struct site gen.auth comp id: QUA
struct site gen.auth seq id: 0
struct site gen.label asym id: A
struct site gen.label comp id: QUA
struct site gen.label seq id: 1
struct site gen.pdbx num res: 11
struct site gen.symmetry: 4_455

21,AC3
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC3
struct site gen.id: 21
struct site gen.site id: AC3
struct site gen.auth asym id: A
struct site gen.auth comp id: QUA
struct site gen.auth seq id: 0
struct site gen.label asym id: A
struct site gen.label comp id: QUA
struct site gen.label seq id: 1
struct site gen.pdbx num res: 11
struct site gen.symmetry: 6_565

22,AC3
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC3
struct site gen.id: 22
struct site gen.site id: AC3
struct site gen.auth asym id: A
struct site gen.auth comp id: NH2
struct site gen.auth seq id: 18
struct site gen.label asym id: A
struct site gen.label comp id: NH2
struct site gen.label seq id: 19
struct site gen.pdbx num res: 11
struct site gen.symmetry: 1_555

23,AC3
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC3
struct site gen.id: 23
struct site gen.site id: AC3
struct site gen.auth asym id: A
struct site gen.auth comp id: NH2
struct site gen.auth seq id: 18
struct site gen.label asym id: A
struct site gen.label comp id: NH2
struct site gen.label seq id: 19
struct site gen.pdbx num res: 11
struct site gen.symmetry: 7_555

24,AC3
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC3
struct site gen.id: 24
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: 2001
struct site gen.label asym id: B
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 11
struct site gen.symmetry: 8_665

25,AC3
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC3
struct site gen.id: 25
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: 2001
struct site gen.label asym id: B
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 11
struct site gen.symmetry: 1_555

26,AC3
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC3
struct site gen.id: 26
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: 2002
struct site gen.label asym id: B
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 11
struct site gen.symmetry: 8_665

27,AC3
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC3
struct site gen.id: 27
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: 2002
struct site gen.label asym id: B
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 11
struct site gen.symmetry: 1_555

28,AC3
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC3
struct site gen.id: 28
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: 2003
struct site gen.label asym id: B
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 11
struct site gen.symmetry: 1_555

29,AC3
type: struct site gen
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to struct site: AC3
struct site gen.id: 29
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: 2004
struct site gen.label asym id: B
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 11
struct site gen.symmetry: 1_555

1E9W
type: symmetry
of datablock: Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
reference to entry: 1E9W
symmetry.entry id: 1E9W
symmetry.int tables number: 96
symmetry.space group name H-M: P 43 21 2