Crystal structure of a prion peptide
type: datablock
alternative label: 4UBZ
link to mmcif: 4UBZ.cif.gz
link to pdbml: 4UBZ.xml.gz
link to pdbml noatom: 4UBZ-noatom.xml.gz
link to pdbml extatom: 4UBZ-extatom.xml.gz
link to doi: doi:10.2210/pdb4UBZ/pdb
datablock name: 4UBZ-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 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 poly category: entity polyCategory
has entity poly seq category: entity poly seqCategory
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 entity src syn category: pdbx entity src synCategory
has pdbx nonpoly scheme category: pdbx nonpoly schemeCategory
has pdbx poly seq scheme category: pdbx poly seq schemeCategory
has pdbx struct assembly category: pdbx struct assemblyCategory
has pdbx struct assembly gen category: pdbx struct assembly genCategory
has pdbx struct conn angle category: pdbx struct conn angleCategory
has pdbx struct oper list category: pdbx struct oper listCategory
has pdbx struct sheet hbond category: pdbx struct sheet hbondCategory
has refine category: refineCategory
has refine hist category: refine histCategory
has refine ls restr category: refine ls restrCategory
has refine ls shell category: refine ls shellCategory
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 sheet category: struct sheetCategory
has struct sheet order category: struct sheet orderCategory
has struct sheet range category: struct sheet rangeCategory
has struct site category: struct siteCategory
has struct site gen category: struct site genCategory
has symmetry category: symmetryCategory

4UBZ
type: atom sites
of datablock: Crystal structure of a prion peptide
reference to entry: 4UBZ
atom sites.entry id: 4UBZ
atom sites.fract transf matrix11: 0.08614
atom sites.fract transf matrix12: 0
atom sites.fract transf matrix13: 0.023473
atom sites.fract transf matrix21: 0
atom sites.fract transf matrix22: 0.055227
atom sites.fract transf matrix23: 0
atom sites.fract transf matrix31: 0
atom sites.fract transf matrix32: 0
atom sites.fract transf matrix33: 0.058088
atom sites.fract transf vector1: 0
atom sites.fract transf vector2: 0
atom sites.fract transf vector3: 0

4UBZ
referenced by atom sites: 4UBZ
referenced by cell: 4UBZ
type: entry
of datablock: Crystal structure of a prion peptide
entry.id: 4UBZ
referenced by exptl: 4UBZ,X-RAY DIFFRACTION
referenced by refine: 4UBZ,X-RAY DIFFRACTION
referenced by reflns: http://rdf.wwpdb.org/pdb/4UBZ/reflns/1
referenced by struct: 4UBZ
referenced by struct keywords: 4UBZ
referenced by symmetry: 4UBZ
referenced by pdbx database status: 4UBZ

http://rdf.wwpdb.org/pdb/4UBZ/atom_type/C
type: atom type
of datablock: Crystal structure of a prion peptide
atom type.symbol: C

http://rdf.wwpdb.org/pdb/4UBZ/atom_type/N
type: atom type
of datablock: Crystal structure of a prion peptide
atom type.symbol: N

NA
type: atom type
of datablock: Crystal structure of a prion peptide
atom type.symbol: NA

http://rdf.wwpdb.org/pdb/4UBZ/atom_type/O
type: atom type
of datablock: Crystal structure of a prion peptide
atom type.symbol: O

http://rdf.wwpdb.org/pdb/4UBZ/audit_author/1
type: audit author
of datablock: Crystal structure of a prion peptide
audit author.pdbx ordinal: 1
audit author.name: Yu, L.

http://rdf.wwpdb.org/pdb/4UBZ/audit_author/2
type: audit author
of datablock: Crystal structure of a prion peptide
audit author.pdbx ordinal: 2
audit author.name: Lee, S.-J.

http://rdf.wwpdb.org/pdb/4UBZ/audit_author/3
type: audit author
of datablock: Crystal structure of a prion peptide
audit author.pdbx ordinal: 3
audit author.name: Yee, V.

mmcif pdbx.dic,5.383
type: audit conform
of datablock: Crystal structure of a prion peptide
audit conform.dict name: mmcif_pdbx.dic
audit conform.dict version: 5.383
audit conform.dict location: http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic

4UBZ
type: cell
of datablock: Crystal structure of a prion peptide
reference to entry: 4UBZ
cell.entry id: 4UBZ
cell.z PDB: 4
cell.angle alpha: 90
cell.angle beta: 105.24
cell.angle gamma: 90
cell.length a: 11.609
cell.length b: 18.107
cell.length c: 17.843

GLY
type: chem comp
of datablock: Crystal structure of a prion peptide
chem comp.id: GLY
chem comp.formula: C2 H5 N O2
chem comp.formula weight: 75.067
chem comp.mon nstd flag: y
chem comp.name: GLYCINE
chem comp.type: peptide linking
link to chem comp: GLY
referenced by chem comp atom: HXT,GLY
referenced by chem comp bond: OXT,HXT,GLY
referenced by entity poly seq: 1,GLY,6
referenced by chem comp atom: N,GLY
referenced by chem comp atom: CA,GLY
referenced by chem comp atom: C,GLY
referenced by chem comp atom: O,GLY
referenced by chem comp atom: OXT,GLY
referenced by chem comp atom: H,GLY
referenced by chem comp atom: H2,GLY
referenced by chem comp atom: HA2,GLY
referenced by chem comp atom: HA3,GLY
referenced by chem comp bond: N,CA,GLY
referenced by chem comp bond: N,H,GLY
referenced by chem comp bond: N,H2,GLY
referenced by chem comp bond: CA,C,GLY
referenced by chem comp bond: CA,HA2,GLY
referenced by chem comp bond: CA,HA3,GLY
referenced by chem comp bond: C,O,GLY
referenced by chem comp bond: C,OXT,GLY
referenced by entity poly seq: 1,GLY,1
referenced by entity poly seq: 1,GLY,2

HOH
type: chem comp
of datablock: Crystal structure of a prion peptide
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

LEU
type: chem comp
of datablock: Crystal structure of a prion peptide
chem comp.id: LEU
chem comp.formula: C6 H13 N O2
chem comp.formula weight: 131.173
chem comp.mon nstd flag: y
chem comp.name: LEUCINE
chem comp.type: L-peptide linking
link to chem comp: LEU
referenced by chem comp atom: HXT,LEU
referenced by chem comp bond: OXT,HXT,LEU
referenced by entity poly seq: 1,LEU,5
referenced by chem comp atom: N,LEU
referenced by chem comp atom: CA,LEU
referenced by chem comp atom: C,LEU
referenced by chem comp atom: O,LEU
referenced by chem comp atom: CB,LEU
referenced by chem comp atom: CG,LEU
referenced by chem comp atom: CD1,LEU
referenced by chem comp atom: CD2,LEU
referenced by chem comp atom: OXT,LEU
referenced by chem comp atom: H,LEU
referenced by chem comp atom: H2,LEU
referenced by chem comp atom: HA,LEU
referenced by chem comp atom: HB2,LEU
referenced by chem comp atom: HB3,LEU
referenced by chem comp atom: HG,LEU
referenced by chem comp atom: HD11,LEU
referenced by chem comp atom: HD12,LEU
referenced by chem comp atom: HD13,LEU
referenced by chem comp atom: HD21,LEU
referenced by chem comp atom: HD22,LEU
referenced by chem comp atom: HD23,LEU
referenced by chem comp bond: N,CA,LEU
referenced by chem comp bond: N,H,LEU
referenced by chem comp bond: N,H2,LEU
referenced by chem comp bond: CA,C,LEU
referenced by chem comp bond: CA,CB,LEU
referenced by chem comp bond: CA,HA,LEU
referenced by chem comp bond: C,O,LEU
referenced by chem comp bond: C,OXT,LEU
referenced by chem comp bond: CB,CG,LEU
referenced by chem comp bond: CB,HB2,LEU
referenced by chem comp bond: CB,HB3,LEU
referenced by chem comp bond: CG,CD1,LEU
referenced by chem comp bond: CG,CD2,LEU
referenced by chem comp bond: CG,HG,LEU
referenced by chem comp bond: CD1,HD11,LEU
referenced by chem comp bond: CD1,HD12,LEU
referenced by chem comp bond: CD1,HD13,LEU
referenced by chem comp bond: CD2,HD21,LEU
referenced by chem comp bond: CD2,HD22,LEU
referenced by chem comp bond: CD2,HD23,LEU
referenced by entity poly seq: 1,LEU,4

NA
type: chem comp
of datablock: Crystal structure of a prion peptide
chem comp.id: NA
chem comp.formula: Na 1
chem comp.formula weight: 22.99
chem comp.name: SODIUM ION
chem comp.type: non-polymer
link to chem comp: NA
referenced by chem comp atom: NA,NA

TYR
type: chem comp
of datablock: Crystal structure of a prion peptide
chem comp.id: TYR
chem comp.formula: C9 H11 N O3
chem comp.formula weight: 181.189
chem comp.mon nstd flag: y
chem comp.name: TYROSINE
chem comp.type: L-peptide linking
link to chem comp: TYR
referenced by chem comp atom: HXT,TYR
referenced by chem comp bond: OXT,HXT,TYR
referenced by entity poly seq: 1,TYR,3
referenced by chem comp atom: N,TYR
referenced by chem comp atom: CA,TYR
referenced by chem comp atom: C,TYR
referenced by chem comp atom: O,TYR
referenced by chem comp atom: CB,TYR
referenced by chem comp atom: CG,TYR
referenced by chem comp atom: CD1,TYR
referenced by chem comp atom: CD2,TYR
referenced by chem comp atom: CE1,TYR
referenced by chem comp atom: CE2,TYR
referenced by chem comp atom: CZ,TYR
referenced by chem comp atom: OH,TYR
referenced by chem comp atom: OXT,TYR
referenced by chem comp atom: H,TYR
referenced by chem comp atom: H2,TYR
referenced by chem comp atom: HA,TYR
referenced by chem comp atom: HB2,TYR
referenced by chem comp atom: HB3,TYR
referenced by chem comp atom: HD1,TYR
referenced by chem comp atom: HD2,TYR
referenced by chem comp atom: HE1,TYR
referenced by chem comp atom: HE2,TYR
referenced by chem comp atom: HH,TYR
referenced by chem comp bond: N,CA,TYR
referenced by chem comp bond: N,H,TYR
referenced by chem comp bond: N,H2,TYR
referenced by chem comp bond: CA,C,TYR
referenced by chem comp bond: CA,CB,TYR
referenced by chem comp bond: CA,HA,TYR
referenced by chem comp bond: C,O,TYR
referenced by chem comp bond: C,OXT,TYR
referenced by chem comp bond: CB,CG,TYR
referenced by chem comp bond: CB,HB2,TYR
referenced by chem comp bond: CB,HB3,TYR
referenced by chem comp bond: CG,CD1,TYR
referenced by chem comp bond: CG,CD2,TYR
referenced by chem comp bond: CD1,CE1,TYR
referenced by chem comp bond: CD1,HD1,TYR
referenced by chem comp bond: CD2,CE2,TYR
referenced by chem comp bond: CD2,HD2,TYR
referenced by chem comp bond: CE1,CZ,TYR
referenced by chem comp bond: CE1,HE1,TYR
referenced by chem comp bond: CE2,CZ,TYR
referenced by chem comp bond: CE2,HE2,TYR
referenced by chem comp bond: CZ,OH,TYR
referenced by chem comp bond: OH,HH,TYR

N,GLY
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: GLY
chem comp atom.atom id: N
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,GLY
referenced by chem comp bond: N,CA,GLY
referenced by chem comp bond: N,H,GLY

CA,GLY
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: GLY
chem comp atom.atom id: CA
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA3,GLY
referenced by chem comp bond: N,CA,GLY
referenced by chem comp bond: CA,C,GLY
referenced by chem comp bond: CA,HA2,GLY

C,GLY
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: GLY
chem comp atom.atom id: C
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,GLY
referenced by chem comp bond: CA,C,GLY
referenced by chem comp bond: C,O,GLY

O,GLY
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: GLY
chem comp atom.atom id: O
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,GLY

OXT,GLY
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: GLY
chem comp atom.atom id: OXT
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,GLY
referenced by chem comp bond: C,OXT,GLY

H,GLY
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: GLY
chem comp atom.atom id: H
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,GLY

H2,GLY
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: GLY
chem comp atom.atom id: H2
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,GLY

HA2,GLY
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: GLY
chem comp atom.atom id: HA2
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA2,GLY

HA3,GLY
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: GLY
chem comp atom.atom id: HA3
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA3,GLY

HXT,GLY
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: GLY
chem comp atom.atom id: HXT
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,GLY

O,HOH
type: chem comp atom
of datablock: Crystal structure of a prion peptide
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: 11
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: Crystal structure of a prion peptide
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: 12
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: Crystal structure of a prion peptide
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: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: O,H2,HOH

N,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: N
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,LEU
referenced by chem comp bond: N,CA,LEU
referenced by chem comp bond: N,H,LEU

CA,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: CA
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,LEU
referenced by chem comp bond: N,CA,LEU
referenced by chem comp bond: CA,C,LEU
referenced by chem comp bond: CA,CB,LEU

C,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: C
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,LEU
referenced by chem comp bond: CA,C,LEU
referenced by chem comp bond: C,O,LEU

O,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: O
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,LEU

CB,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: CB
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,LEU
referenced by chem comp bond: CA,CB,LEU
referenced by chem comp bond: CB,CG,LEU
referenced by chem comp bond: CB,HB2,LEU

CG,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: CG
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,HG,LEU
referenced by chem comp bond: CB,CG,LEU
referenced by chem comp bond: CG,CD1,LEU
referenced by chem comp bond: CG,CD2,LEU

CD1,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: CD1
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD1,HD13,LEU
referenced by chem comp bond: CG,CD1,LEU
referenced by chem comp bond: CD1,HD11,LEU
referenced by chem comp bond: CD1,HD12,LEU

CD2,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: CD2
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD2,HD23,LEU
referenced by chem comp bond: CG,CD2,LEU
referenced by chem comp bond: CD2,HD21,LEU
referenced by chem comp bond: CD2,HD22,LEU

OXT,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: OXT
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,LEU
referenced by chem comp bond: C,OXT,LEU

H,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: H
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,LEU

H2,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: H2
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,LEU

HA,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: HA
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,LEU

HB2,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: HB2
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,LEU

HB3,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: HB3
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,LEU

HG,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: HG
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG,LEU

HD11,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: HD11
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD11,LEU

HD12,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: HD12
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD12,LEU

HD13,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: HD13
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD13,LEU

HD21,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: HD21
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD2,HD21,LEU

HD22,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: HD22
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD2,HD22,LEU

HD23,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: HD23
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD2,HD23,LEU

HXT,LEU
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
chem comp atom.atom id: HXT
chem comp atom.comp id: LEU
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,LEU

NA,NA
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: NA
chem comp atom.atom id: NA
chem comp atom.comp id: NA
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: NA

N,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: N
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,TYR
referenced by chem comp bond: N,CA,TYR
referenced by chem comp bond: N,H,TYR

CA,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: CA
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,TYR
referenced by chem comp bond: N,CA,TYR
referenced by chem comp bond: CA,C,TYR
referenced by chem comp bond: CA,CB,TYR

C,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: C
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,TYR
referenced by chem comp bond: CA,C,TYR
referenced by chem comp bond: C,O,TYR

O,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: O
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,TYR

CB,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: CB
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,TYR
referenced by chem comp bond: CA,CB,TYR
referenced by chem comp bond: CB,CG,TYR
referenced by chem comp bond: CB,HB2,TYR

CG,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: CG
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,CD2,TYR
referenced by chem comp bond: CB,CG,TYR
referenced by chem comp bond: CG,CD1,TYR

CD1,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: CD1
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD1,HD1,TYR
referenced by chem comp bond: CG,CD1,TYR
referenced by chem comp bond: CD1,CE1,TYR

CD2,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: CD2
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD2,HD2,TYR
referenced by chem comp bond: CG,CD2,TYR
referenced by chem comp bond: CD2,CE2,TYR

CE1,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: CE1
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE1,HE1,TYR
referenced by chem comp bond: CD1,CE1,TYR
referenced by chem comp bond: CE1,CZ,TYR

CE2,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: CE2
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE2,HE2,TYR
referenced by chem comp bond: CD2,CE2,TYR
referenced by chem comp bond: CE2,CZ,TYR

CZ,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: CZ
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CZ,OH,TYR
referenced by chem comp bond: CE2,CZ,TYR
referenced by chem comp bond: CE1,CZ,TYR

OH,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: OH
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OH,HH,TYR
referenced by chem comp bond: CZ,OH,TYR

OXT,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: OXT
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 49
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,TYR
referenced by chem comp bond: C,OXT,TYR

H,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: H
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 50
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,TYR

H2,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: H2
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 51
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,TYR

HA,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: HA
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 52
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,TYR

HB2,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: HB2
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 53
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,TYR

HB3,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: HB3
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 54
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,TYR

HD1,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: HD1
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 55
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD1,TYR

HD2,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: HD2
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 56
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD2,HD2,TYR

HE1,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: HE1
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 57
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE1,HE1,TYR

HE2,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: HE2
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 58
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE2,HE2,TYR

HH,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: HH
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 59
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OH,HH,TYR

HXT,TYR
type: chem comp atom
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
chem comp atom.atom id: HXT
chem comp atom.comp id: TYR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 60
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,TYR

N,CA,GLY
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: N,GLY
reference to chem comp atom: CA,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,GLY
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: N,GLY
reference to chem comp atom: H,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,GLY
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: N,GLY
reference to chem comp atom: H2,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,GLY
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CA,GLY
reference to chem comp atom: C,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA2,GLY
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CA,GLY
reference to chem comp atom: HA2,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA2
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA3,GLY
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CA,GLY
reference to chem comp atom: HA3,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA3
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,GLY
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: C,GLY
reference to chem comp atom: O,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,GLY
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: C,GLY
reference to chem comp atom: OXT,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,GLY
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: OXT,GLY
reference to chem comp atom: HXT,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O,H1,HOH
type: chem comp bond
of datablock: Crystal structure of a prion peptide
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: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O,H2,HOH
type: chem comp bond
of datablock: Crystal structure of a prion peptide
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: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: N,LEU
reference to chem comp atom: CA,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: N,LEU
reference to chem comp atom: H,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: N,LEU
reference to chem comp atom: H2,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CA,LEU
reference to chem comp atom: C,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CA,LEU
reference to chem comp atom: CB,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CA,LEU
reference to chem comp atom: HA,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: C,LEU
reference to chem comp atom: O,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: C,LEU
reference to chem comp atom: OXT,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CB,LEU
reference to chem comp atom: CG,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CB,LEU
reference to chem comp atom: HB2,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CB,LEU
reference to chem comp atom: HB3,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD1,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CG,LEU
reference to chem comp atom: CD1,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD1
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD2,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CG,LEU
reference to chem comp atom: CD2,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD2
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CG,LEU
reference to chem comp atom: HG,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD11,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CD1,LEU
reference to chem comp atom: HD11,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD11
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD12,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CD1,LEU
reference to chem comp atom: HD12,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD12
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD13,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CD1,LEU
reference to chem comp atom: HD13,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD13
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD2,HD21,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CD2,LEU
reference to chem comp atom: HD21,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: HD21
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD2,HD22,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CD2,LEU
reference to chem comp atom: HD22,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: HD22
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD2,HD23,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CD2,LEU
reference to chem comp atom: HD23,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: HD23
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,LEU
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: OXT,LEU
reference to chem comp atom: HXT,LEU
reference to chem comp: LEU
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: LEU
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: N,TYR
reference to chem comp atom: CA,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: N,TYR
reference to chem comp atom: H,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 34
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: N,TYR
reference to chem comp atom: H2,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CA,TYR
reference to chem comp atom: C,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CA,TYR
reference to chem comp atom: CB,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CA,TYR
reference to chem comp atom: HA,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: C,TYR
reference to chem comp atom: O,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: C,TYR
reference to chem comp atom: OXT,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CB,TYR
reference to chem comp atom: CG,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CB,TYR
reference to chem comp atom: HB2,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CB,TYR
reference to chem comp atom: HB3,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 43
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD1,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CG,TYR
reference to chem comp atom: CD1,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD1
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 44
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CG,CD2,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CG,TYR
reference to chem comp atom: CD2,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD2
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 45
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,CE1,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CD1,TYR
reference to chem comp atom: CE1,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: CE1
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 46
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD1,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CD1,TYR
reference to chem comp atom: HD1,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD1
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 47
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD2,CE2,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CD2,TYR
reference to chem comp atom: CE2,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: CE2
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 48
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CD2,HD2,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CD2,TYR
reference to chem comp atom: HD2,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: HD2
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 49
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE1,CZ,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CE1,TYR
reference to chem comp atom: CZ,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CE1
chem comp bond.atom id 2: CZ
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 50
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CE1,HE1,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CE1,TYR
reference to chem comp atom: HE1,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CE1
chem comp bond.atom id 2: HE1
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 51
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE2,CZ,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CE2,TYR
reference to chem comp atom: CZ,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CE2
chem comp bond.atom id 2: CZ
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 52
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE2,HE2,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CE2,TYR
reference to chem comp atom: HE2,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CE2
chem comp bond.atom id 2: HE2
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 53
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CZ,OH,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: CZ,TYR
reference to chem comp atom: OH,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: CZ
chem comp bond.atom id 2: OH
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 54
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OH,HH,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: OH,TYR
reference to chem comp atom: HH,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: OH
chem comp bond.atom id 2: HH
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 55
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,TYR
type: chem comp bond
of datablock: Crystal structure of a prion peptide
reference to chem comp atom: OXT,TYR
reference to chem comp atom: HXT,TYR
reference to chem comp: TYR
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: TYR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 56
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

primary
type: citation
of datablock: Crystal structure of a prion peptide
citation.id: primary
citation.country: US
citation.journal abbrev: Biochemistry
citation.journal id ASTM: BICHAW
citation.journal id CSD: 0033
citation.journal id ISSN: 0006-2960
citation.journal volume: 54
citation.page first: 3640
citation.page last: 3648
citation.pdbx database id DOI: 10.1021/acs.biochem.5b00425
citation.pdbx database id pub med: 25978088
citation.title: Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
citation.year: 2015
link to doi: doi:10.1021/acs.biochem.5b00425
link to pubmed: pubmed:25978088
references: pubmed:25978088
referenced by citation author: primary,Yee, V.C.,3
referenced by citation author: primary,Yu, L.,1
referenced by citation author: primary,Lee, S.J.,2

primary,Yu, L.,1
type: citation author
of datablock: Crystal structure of a prion peptide
reference to citation: primary
citation author.citation id: primary
citation author.name: Yu, L.
citation author.ordinal: 1

primary,Lee, S.J.,2
type: citation author
of datablock: Crystal structure of a prion peptide
reference to citation: primary
citation author.citation id: primary
citation author.name: Lee, S.J.
citation author.ordinal: 2

primary,Yee, V.C.,3
type: citation author
of datablock: Crystal structure of a prion peptide
reference to citation: primary
citation author.citation id: primary
citation author.name: Yee, V.C.
citation author.ordinal: 3

4UBZ,PDB
type: database 2
of datablock: Crystal structure of a prion peptide
database 2.database code: 4UBZ
database 2.database id: PDB
database 2.pdbx DOI: 10.2210/pdb4ubz/pdb
database 2.pdbx database accession: pdb_00004ubz

D 1000203156,WWPDB
type: database 2
of datablock: Crystal structure of a prion peptide
database 2.database code: D_1000203156
database 2.database id: WWPDB

http://rdf.wwpdb.org/pdb/4UBZ/diffrn/1
type: diffrn
of datablock: Crystal structure of a prion peptide
reference to exptl crystal: http://rdf.wwpdb.org/pdb/4UBZ/exptl_crystal/1
diffrn.id: 1
diffrn.ambient temp: 100
diffrn.crystal id: 1
referenced by diffrn detector: http://rdf.wwpdb.org/pdb/4UBZ/diffrn_detector/1
referenced by diffrn radiation: http://rdf.wwpdb.org/pdb/4UBZ/diffrn_radiation/1
referenced by diffrn source: http://rdf.wwpdb.org/pdb/4UBZ/diffrn_source/1

http://rdf.wwpdb.org/pdb/4UBZ/exptl_crystal/1
referenced by diffrn: http://rdf.wwpdb.org/pdb/4UBZ/diffrn/1
type: exptl crystal
of datablock: Crystal structure of a prion peptide
exptl crystal.id: 1
exptl crystal.density matthews: 1.56
exptl crystal.density percent sol: 21.33
referenced by exptl crystal grow: http://rdf.wwpdb.org/pdb/4UBZ/exptl_crystal_grow/1

http://rdf.wwpdb.org/pdb/4UBZ/diffrn_detector/1
type: diffrn detector
of datablock: Crystal structure of a prion peptide
reference to diffrn: http://rdf.wwpdb.org/pdb/4UBZ/diffrn/1
diffrn detector.diffrn id: 1
diffrn detector.detector: CCD
diffrn detector.pdbx collection date: 2011-10-20
diffrn detector.type: MARMOSAIC 300 mm CCD

http://rdf.wwpdb.org/pdb/4UBZ/diffrn_radiation/1
type: diffrn radiation
of datablock: Crystal structure of a prion peptide
reference to diffrn: http://rdf.wwpdb.org/pdb/4UBZ/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/4UBZ/diffrn_radiation_wavelength/1
type: diffrn radiation wavelength
of datablock: Crystal structure of a prion peptide
diffrn radiation wavelength.id: 1
diffrn radiation wavelength.wavelength: 0.7749
diffrn radiation wavelength.wt: 1

http://rdf.wwpdb.org/pdb/4UBZ/diffrn_source/1
type: diffrn source
of datablock: Crystal structure of a prion peptide
reference to diffrn: http://rdf.wwpdb.org/pdb/4UBZ/diffrn/1
diffrn source.diffrn id: 1
diffrn source.pdbx synchrotron beamline: 23-ID-B
diffrn source.pdbx synchrotron site: APS
diffrn source.pdbx wavelength list: 0.77490
diffrn source.source: SYNCHROTRON
diffrn source.type: APS BEAMLINE 23-ID-B

http://rdf.wwpdb.org/pdb/4UBZ/entity/1
type: entity
of datablock: Crystal structure of a prion peptide
entity.id: 1
entity.formula weight: 578.66
entity.pdbx description: prion peptide
entity.pdbx number of molecules: 2
entity.src method: syn
entity.type: polymer
referenced by entity poly: http://rdf.wwpdb.org/pdb/4UBZ/entity_poly/1
referenced by struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/B
referenced by struct ref: http://rdf.wwpdb.org/pdb/4UBZ/struct_ref/1
referenced by pdbx entity src syn: 1,1
referenced by struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/A

http://rdf.wwpdb.org/pdb/4UBZ/entity/2
type: entity
of datablock: Crystal structure of a prion peptide
entity.id: 2
entity.formula weight: 22.99
entity.pdbx description: SODIUM ION
entity.pdbx number of molecules: 1
entity.src method: syn
entity.type: non-polymer
referenced by struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/C
referenced by pdbx entity nonpoly: http://rdf.wwpdb.org/pdb/4UBZ/pdbx_entity_nonpoly/2

http://rdf.wwpdb.org/pdb/4UBZ/entity/3
type: entity
of datablock: Crystal structure of a prion peptide
entity.id: 3
entity.formula weight: 18.015
entity.pdbx description: water
entity.pdbx number of molecules: 9
entity.src method: nat
entity.type: water
referenced by struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/E
referenced by pdbx entity nonpoly: http://rdf.wwpdb.org/pdb/4UBZ/pdbx_entity_nonpoly/3
referenced by struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/D

http://rdf.wwpdb.org/pdb/4UBZ/entity_poly/1
type: entity poly
of datablock: Crystal structure of a prion peptide
reference to entity: http://rdf.wwpdb.org/pdb/4UBZ/entity/1
entity poly.entity id: 1
entity poly.nstd linkage: no
entity poly.nstd monomer: no
entity poly.pdbx seq one letter code: GGYLLG
entity poly.pdbx seq one letter code can: GGYLLG
entity poly.pdbx strand id: A,B
entity poly.type: polypeptide(L)
referenced by entity poly seq: 1,GLY,6
referenced by entity poly seq: 1,GLY,1
referenced by entity poly seq: 1,GLY,2
referenced by entity poly seq: 1,TYR,3
referenced by entity poly seq: 1,LEU,4
referenced by entity poly seq: 1,LEU,5

1,GLY,1
type: entity poly seq
of datablock: Crystal structure of a prion peptide
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/4UBZ/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 1
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: B,1,GLY,1
referenced by pdbx poly seq scheme: A,1,GLY,1

1,GLY,2
type: entity poly seq
of datablock: Crystal structure of a prion peptide
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/4UBZ/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 2
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: B,1,GLY,2
referenced by pdbx poly seq scheme: A,1,GLY,2

1,TYR,3
type: entity poly seq
of datablock: Crystal structure of a prion peptide
reference to chem comp: TYR
reference to entity poly: http://rdf.wwpdb.org/pdb/4UBZ/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TYR
entity poly seq.num: 3
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: B,1,TYR,3
referenced by pdbx poly seq scheme: A,1,TYR,3

1,LEU,4
type: entity poly seq
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/4UBZ/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 4
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: B,1,LEU,4
referenced by pdbx poly seq scheme: A,1,LEU,4

1,LEU,5
type: entity poly seq
of datablock: Crystal structure of a prion peptide
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/4UBZ/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 5
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: B,1,LEU,5
referenced by pdbx poly seq scheme: A,1,LEU,5

1,GLY,6
type: entity poly seq
of datablock: Crystal structure of a prion peptide
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/4UBZ/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 6
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: B,1,GLY,6
referenced by pdbx poly seq scheme: A,1,GLY,6

4UBZ,X-RAY DIFFRACTION
type: exptl
of datablock: Crystal structure of a prion peptide
reference to entry: 4UBZ
exptl.entry id: 4UBZ
exptl.method: X-RAY DIFFRACTION
exptl.crystals number: 1

http://rdf.wwpdb.org/pdb/4UBZ/exptl_crystal_grow/1
type: exptl crystal grow
of datablock: Crystal structure of a prion peptide
reference to exptl crystal: http://rdf.wwpdb.org/pdb/4UBZ/exptl_crystal/1
exptl crystal grow.crystal id: 1
exptl crystal grow.method: VAPOR DIFFUSION
exptl crystal grow.pdbx details: 0.2 M sodium thiocyanate and 2.2 M ammonium sulfate
exptl crystal grow.temp: 293

Structure model,1,4
type: pdbx audit revision category
of datablock: Crystal structure of a prion peptide
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: citation

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 group: Structure model,3,4
referenced by pdbx audit revision group: Structure model,4,4
referenced by pdbx audit revision group: Structure model,5,4
referenced by pdbx audit revision group: Structure model,6,4
type: pdbx audit revision history
of datablock: Crystal structure of a prion peptide
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 4
pdbx audit revision history.major revision: 1
pdbx audit revision history.minor revision: 3
pdbx audit revision history.revision date: 2017-11-22
referenced by pdbx audit revision item: Structure model,5,4
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
referenced by pdbx audit revision item: Structure model,4,4

Structure model,2,4
type: pdbx audit revision category
of datablock: Crystal structure of a prion peptide
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: pdbx_entity_src_syn

Structure model,3,4
type: pdbx audit revision category
of datablock: Crystal structure of a prion peptide
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: pdbx_struct_assembly

Structure model,4,4
type: pdbx audit revision category
of datablock: Crystal structure of a prion peptide
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_struct_assembly_gen

Structure model,5,4
type: pdbx audit revision category
of datablock: Crystal structure of a prion peptide
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_struct_oper_list

Structure model,6,4
type: pdbx audit revision category
of datablock: Crystal structure of a prion peptide
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: software

Structure model,7,5
type: pdbx audit revision category
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 7
pdbx audit revision category.revision ordinal: 5
pdbx audit revision category.category: chem_comp_atom

Structure model,5
referenced by pdbx audit revision category: Structure model,7,5
referenced by pdbx audit revision category: Structure model,8,5
referenced by pdbx audit revision category: Structure model,9,5
referenced by pdbx audit revision category: Structure model,10,5
referenced by pdbx audit revision group: Structure model,7,5
referenced by pdbx audit revision group: Structure model,8,5
referenced by pdbx audit revision group: Structure model,9,5
type: pdbx audit revision history
of datablock: Crystal structure of a prion peptide
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 5
pdbx audit revision history.major revision: 1
pdbx audit revision history.minor revision: 4
pdbx audit revision history.revision date: 2023-12-27
referenced by pdbx audit revision item: Structure model,21,5
referenced by pdbx audit revision item: Structure model,6,5
referenced by pdbx audit revision item: Structure model,7,5
referenced by pdbx audit revision item: Structure model,8,5
referenced by pdbx audit revision item: Structure model,9,5
referenced by pdbx audit revision item: Structure model,10,5
referenced by pdbx audit revision item: Structure model,11,5
referenced by pdbx audit revision item: Structure model,12,5
referenced by pdbx audit revision item: Structure model,13,5
referenced by pdbx audit revision item: Structure model,14,5
referenced by pdbx audit revision item: Structure model,15,5
referenced by pdbx audit revision item: Structure model,16,5
referenced by pdbx audit revision item: Structure model,17,5
referenced by pdbx audit revision item: Structure model,18,5
referenced by pdbx audit revision item: Structure model,19,5
referenced by pdbx audit revision item: Structure model,20,5

Structure model,8,5
type: pdbx audit revision category
of datablock: Crystal structure of a prion peptide
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: chem_comp_bond

Structure model,9,5
type: pdbx audit revision category
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 9
pdbx audit revision category.revision ordinal: 5
pdbx audit revision category.category: database_2

Structure model,10,5
type: pdbx audit revision category
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 10
pdbx audit revision category.revision ordinal: 5
pdbx audit revision category.category: struct_conn

Structure model,1,1
type: pdbx audit revision details
of datablock: Crystal structure of a prion peptide
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: Crystal structure of a prion peptide
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: 2015-05-27

Structure model,1,2
type: pdbx audit revision group
of datablock: Crystal structure of a prion peptide
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: Derived calculations

Structure model,2
referenced by pdbx audit revision group: Structure model,1,2
type: pdbx audit revision history
of datablock: Crystal structure of a prion peptide
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: 2015-06-03

Structure model,2,3
type: pdbx audit revision group
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,3
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 2
pdbx audit revision group.revision ordinal: 3
pdbx audit revision group.group: Database references

Structure model,3
referenced by pdbx audit revision group: Structure model,2,3
type: pdbx audit revision history
of datablock: Crystal structure of a prion peptide
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: 2015-07-01

Structure model,3,4
type: pdbx audit revision group
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,4
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 3
pdbx audit revision group.revision ordinal: 4
pdbx audit revision group.group: Database references

Structure model,4,4
type: pdbx audit revision group
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,4
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 4
pdbx audit revision group.revision ordinal: 4
pdbx audit revision group.group: Derived calculations

Structure model,5,4
type: pdbx audit revision group
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,4
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 5
pdbx audit revision group.revision ordinal: 4
pdbx audit revision group.group: Refinement description

Structure model,6,4
type: pdbx audit revision group
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,4
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 6
pdbx audit revision group.revision ordinal: 4
pdbx audit revision group.group: Source and taxonomy

Structure model,7,5
type: pdbx audit revision group
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 7
pdbx audit revision group.revision ordinal: 5
pdbx audit revision group.group: Data collection

Structure model,8,5
type: pdbx audit revision group
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 8
pdbx audit revision group.revision ordinal: 5
pdbx audit revision group.group: Database references

Structure model,9,5
type: pdbx audit revision group
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 9
pdbx audit revision group.revision ordinal: 5
pdbx audit revision group.group: Derived calculations

Structure model,1,4
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
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: _citation.journal_id_CSD

Structure model,2,4
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
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_entity_src_syn.pdbx_alt_source_flag

Structure model,3,4
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
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_struct_assembly.oligomeric_details

Structure model,4,4
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
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: _pdbx_struct_assembly_gen.asym_id_list

Structure model,5,4
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,4
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 5
pdbx audit revision item.revision ordinal: 4
pdbx audit revision item.item: _pdbx_struct_oper_list.symmetry_operation

Structure model,6,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 6
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _database_2.pdbx_DOI

Structure model,7,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 7
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _database_2.pdbx_database_accession

Structure model,8,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 8
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _struct_conn.pdbx_ptnr1_label_alt_id

Structure model,9,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 9
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _struct_conn.pdbx_ptnr2_label_alt_id

Structure model,10,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 10
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _struct_conn.ptnr1_auth_asym_id

Structure model,11,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 11
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _struct_conn.ptnr1_auth_comp_id

Structure model,12,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 12
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _struct_conn.ptnr1_auth_seq_id

Structure model,13,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 13
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _struct_conn.ptnr1_label_asym_id

Structure model,14,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 14
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _struct_conn.ptnr1_label_atom_id

Structure model,15,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 15
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _struct_conn.ptnr1_label_comp_id

Structure model,16,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 16
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _struct_conn.ptnr2_auth_asym_id

Structure model,17,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 17
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _struct_conn.ptnr2_auth_comp_id

Structure model,18,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 18
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _struct_conn.ptnr2_auth_seq_id

Structure model,19,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 19
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _struct_conn.ptnr2_label_asym_id

Structure model,20,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 20
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _struct_conn.ptnr2_label_atom_id

Structure model,21,5
type: pdbx audit revision item
of datablock: Crystal structure of a prion peptide
reference to pdbx audit revision history: Structure model,5
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 21
pdbx audit revision item.revision ordinal: 5
pdbx audit revision item.item: _struct_conn.ptnr2_label_comp_id

unspecified,4uby,PDB
type: pdbx database related
of datablock: Crystal structure of a prion peptide
pdbx database related.content type: unspecified
pdbx database related.db id: 4uby
pdbx database related.db name: PDB

unspecified,4TUT,PDB
type: pdbx database related
of datablock: Crystal structure of a prion peptide
pdbx database related.content type: unspecified
pdbx database related.db id: 4TUT
pdbx database related.db name: PDB

unspecified,4W5L,PDB
type: pdbx database related
of datablock: Crystal structure of a prion peptide
pdbx database related.content type: unspecified
pdbx database related.db id: 4W5L
pdbx database related.db name: PDB

unspecified,4W5M,PDB
type: pdbx database related
of datablock: Crystal structure of a prion peptide
pdbx database related.content type: unspecified
pdbx database related.db id: 4W5M
pdbx database related.db name: PDB

unspecified,4W5P,PDB
type: pdbx database related
of datablock: Crystal structure of a prion peptide
pdbx database related.content type: unspecified
pdbx database related.db id: 4W5P
pdbx database related.db name: PDB

unspecified,4W5Y,PDB
type: pdbx database related
of datablock: Crystal structure of a prion peptide
pdbx database related.content type: unspecified
pdbx database related.db id: 4W5Y
pdbx database related.db name: PDB

unspecified,4W67,PDB
type: pdbx database related
of datablock: Crystal structure of a prion peptide
pdbx database related.content type: unspecified
pdbx database related.db id: 4W67
pdbx database related.db name: PDB

unspecified,4W71,PDB
type: pdbx database related
of datablock: Crystal structure of a prion peptide
pdbx database related.content type: unspecified
pdbx database related.db id: 4W71
pdbx database related.db name: PDB

unspecified,4WBU,PDB
type: pdbx database related
of datablock: Crystal structure of a prion peptide
pdbx database related.content type: unspecified
pdbx database related.db id: 4WBU
pdbx database related.db name: PDB

unspecified,4WBV,PDB
type: pdbx database related
of datablock: Crystal structure of a prion peptide
pdbx database related.content type: unspecified
pdbx database related.db id: 4WBV
pdbx database related.db name: PDB

4UBZ
type: pdbx database status
of datablock: Crystal structure of a prion peptide
reference to entry: 4UBZ
pdbx database status.entry id: 4UBZ
pdbx database status.sg entry: N
pdbx database status.deposit site: RCSB
pdbx database status.pdb format compatible: Y
pdbx database status.process site: RCSB
pdbx database status.recvd initial deposition date: 2014-08-13
pdbx database status.status code: REL
pdbx database status.status code sf: REL

http://rdf.wwpdb.org/pdb/4UBZ/pdbx_entity_nonpoly/2
type: pdbx entity nonpoly
of datablock: Crystal structure of a prion peptide
reference to entity: http://rdf.wwpdb.org/pdb/4UBZ/entity/2
pdbx entity nonpoly.entity id: 2
pdbx entity nonpoly.comp id: NA
pdbx entity nonpoly.name: SODIUM ION

http://rdf.wwpdb.org/pdb/4UBZ/pdbx_entity_nonpoly/3
type: pdbx entity nonpoly
of datablock: Crystal structure of a prion peptide
reference to entity: http://rdf.wwpdb.org/pdb/4UBZ/entity/3
pdbx entity nonpoly.entity id: 3
pdbx entity nonpoly.comp id: HOH
pdbx entity nonpoly.name: water

1,1
type: pdbx entity src syn
of datablock: Crystal structure of a prion peptide
reference to entity: http://rdf.wwpdb.org/pdb/4UBZ/entity/1
pdbx entity src syn.entity id: 1
pdbx entity src syn.pdbx src id: 1
pdbx entity src syn.details: synthetic
pdbx entity src syn.ncbi taxonomy id: 32630
pdbx entity src syn.organism scientific: synthetic construct
pdbx entity src syn.pdbx alt source flag: sample
pdbx entity src syn.pdbx beg seq num: 1
pdbx entity src syn.pdbx end seq num: 6

C,1
type: pdbx nonpoly scheme
of datablock: Crystal structure of a prion peptide
pdbx nonpoly scheme.asym id: C
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: NA
pdbx nonpoly scheme.auth seq num: 1
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: NA
pdbx nonpoly scheme.pdb mon id: NA
pdbx nonpoly scheme.pdb seq num: 201
pdbx nonpoly scheme.pdb strand id: B

D,1
type: pdbx nonpoly scheme
of datablock: Crystal structure of a prion peptide
pdbx nonpoly scheme.asym id: D
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 8
pdbx nonpoly scheme.entity id: 3
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 201
pdbx nonpoly scheme.pdb strand id: A

D,2
type: pdbx nonpoly scheme
of datablock: Crystal structure of a prion peptide
pdbx nonpoly scheme.asym id: D
pdbx nonpoly scheme.ndb seq num: 2
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 6
pdbx nonpoly scheme.entity id: 3
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 202
pdbx nonpoly scheme.pdb strand id: A

D,3
type: pdbx nonpoly scheme
of datablock: Crystal structure of a prion peptide
pdbx nonpoly scheme.asym id: D
pdbx nonpoly scheme.ndb seq num: 3
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 9
pdbx nonpoly scheme.entity id: 3
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 203
pdbx nonpoly scheme.pdb strand id: A

D,4
type: pdbx nonpoly scheme
of datablock: Crystal structure of a prion peptide
pdbx nonpoly scheme.asym id: D
pdbx nonpoly scheme.ndb seq num: 4
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 7
pdbx nonpoly scheme.entity id: 3
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 204
pdbx nonpoly scheme.pdb strand id: A

D,5
type: pdbx nonpoly scheme
of datablock: Crystal structure of a prion peptide
pdbx nonpoly scheme.asym id: D
pdbx nonpoly scheme.ndb seq num: 5
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 10
pdbx nonpoly scheme.entity id: 3
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 205
pdbx nonpoly scheme.pdb strand id: A

E,1
type: pdbx nonpoly scheme
of datablock: Crystal structure of a prion peptide
pdbx nonpoly scheme.asym id: E
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 3
pdbx nonpoly scheme.entity id: 3
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 301
pdbx nonpoly scheme.pdb strand id: B

E,2
type: pdbx nonpoly scheme
of datablock: Crystal structure of a prion peptide
pdbx nonpoly scheme.asym id: E
pdbx nonpoly scheme.ndb seq num: 2
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 2
pdbx nonpoly scheme.entity id: 3
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 302
pdbx nonpoly scheme.pdb strand id: B

E,3
type: pdbx nonpoly scheme
of datablock: Crystal structure of a prion peptide
pdbx nonpoly scheme.asym id: E
pdbx nonpoly scheme.ndb seq num: 3
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 4
pdbx nonpoly scheme.entity id: 3
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 303
pdbx nonpoly scheme.pdb strand id: B

E,4
type: pdbx nonpoly scheme
of datablock: Crystal structure of a prion peptide
pdbx nonpoly scheme.asym id: E
pdbx nonpoly scheme.ndb seq num: 4
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 5
pdbx nonpoly scheme.entity id: 3
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 304
pdbx nonpoly scheme.pdb strand id: B

A,1,GLY,1
type: pdbx poly seq scheme
of datablock: Crystal structure of a prion peptide
reference to entity poly seq: 1,GLY,1
reference to struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 1
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 126
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 1
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 126
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/A
referenced by pdbx poly seq scheme: A,1,GLY,1
referenced by pdbx poly seq scheme: A,1,GLY,2
referenced by pdbx poly seq scheme: A,1,TYR,3
referenced by pdbx poly seq scheme: A,1,LEU,4
referenced by pdbx poly seq scheme: A,1,LEU,5
referenced by pdbx poly seq scheme: A,1,GLY,6
type: struct asym
of datablock: Crystal structure of a prion peptide
reference to entity: http://rdf.wwpdb.org/pdb/4UBZ/entity/1
struct asym.id: A
struct asym.entity id: 1
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

A,1,GLY,2
type: pdbx poly seq scheme
of datablock: Crystal structure of a prion peptide
reference to entity poly seq: 1,GLY,2
reference to struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 2
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 127
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 2
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 127
pdbx poly seq scheme.pdb strand id: A

A,1,TYR,3
type: pdbx poly seq scheme
of datablock: Crystal structure of a prion peptide
reference to entity poly seq: 1,TYR,3
reference to struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TYR
pdbx poly seq scheme.seq id: 3
pdbx poly seq scheme.auth mon id: TYR
pdbx poly seq scheme.auth seq num: 128
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 3
pdbx poly seq scheme.pdb mon id: TYR
pdbx poly seq scheme.pdb seq num: 128
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,4
type: pdbx poly seq scheme
of datablock: Crystal structure of a prion peptide
reference to entity poly seq: 1,LEU,4
reference to struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 4
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 129
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 4
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 129
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,5
type: pdbx poly seq scheme
of datablock: Crystal structure of a prion peptide
reference to entity poly seq: 1,LEU,5
reference to struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 5
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 130
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 5
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 130
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,6
type: pdbx poly seq scheme
of datablock: Crystal structure of a prion peptide
reference to entity poly seq: 1,GLY,6
reference to struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 6
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 131
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 6
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 131
pdbx poly seq scheme.pdb strand id: A

B,1,GLY,1
type: pdbx poly seq scheme
of datablock: Crystal structure of a prion peptide
reference to entity poly seq: 1,GLY,1
reference to struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/B
pdbx poly seq scheme.asym id: B
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 1
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 126
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 1
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 126
pdbx poly seq scheme.pdb strand id: B

http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/B
referenced by pdbx poly seq scheme: B,1,GLY,1
referenced by pdbx poly seq scheme: B,1,GLY,2
referenced by pdbx poly seq scheme: B,1,TYR,3
referenced by pdbx poly seq scheme: B,1,LEU,4
referenced by pdbx poly seq scheme: B,1,LEU,5
referenced by pdbx poly seq scheme: B,1,GLY,6
type: struct asym
of datablock: Crystal structure of a prion peptide
reference to entity: http://rdf.wwpdb.org/pdb/4UBZ/entity/1
struct asym.id: B
struct asym.entity id: 1
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

B,1,GLY,2
type: pdbx poly seq scheme
of datablock: Crystal structure of a prion peptide
reference to entity poly seq: 1,GLY,2
reference to struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/B
pdbx poly seq scheme.asym id: B
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 2
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 127
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 2
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 127
pdbx poly seq scheme.pdb strand id: B

B,1,TYR,3
type: pdbx poly seq scheme
of datablock: Crystal structure of a prion peptide
reference to entity poly seq: 1,TYR,3
reference to struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/B
pdbx poly seq scheme.asym id: B
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TYR
pdbx poly seq scheme.seq id: 3
pdbx poly seq scheme.auth mon id: TYR
pdbx poly seq scheme.auth seq num: 128
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 3
pdbx poly seq scheme.pdb mon id: TYR
pdbx poly seq scheme.pdb seq num: 128
pdbx poly seq scheme.pdb strand id: B

B,1,LEU,4
type: pdbx poly seq scheme
of datablock: Crystal structure of a prion peptide
reference to entity poly seq: 1,LEU,4
reference to struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/B
pdbx poly seq scheme.asym id: B
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 4
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 129
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 4
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 129
pdbx poly seq scheme.pdb strand id: B

B,1,LEU,5
type: pdbx poly seq scheme
of datablock: Crystal structure of a prion peptide
reference to entity poly seq: 1,LEU,5
reference to struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/B
pdbx poly seq scheme.asym id: B
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 5
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 130
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 5
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 130
pdbx poly seq scheme.pdb strand id: B

B,1,GLY,6
type: pdbx poly seq scheme
of datablock: Crystal structure of a prion peptide
reference to entity poly seq: 1,GLY,6
reference to struct asym: http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/B
pdbx poly seq scheme.asym id: B
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 6
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 131
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 6
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 131
pdbx poly seq scheme.pdb strand id: B

http://rdf.wwpdb.org/pdb/4UBZ/pdbx_struct_assembly/1
type: pdbx struct assembly
of datablock: Crystal structure of a prion peptide
pdbx struct assembly.id: 1
pdbx struct assembly.details: author_defined_assembly
pdbx struct assembly.oligomeric count: 12
pdbx struct assembly.oligomeric details: dodecameric
referenced by pdbx struct assembly gen: 1,A,B,C,D,E,1,2,3,4,5,6

1,A,B,C,D,E,1,2,3,4,5,6
type: pdbx struct assembly gen
of datablock: Crystal structure of a prion peptide
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/4UBZ/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A,B,C,D,E
pdbx struct assembly gen.oper expression: 1,2,3,4,5,6

http://rdf.wwpdb.org/pdb/4UBZ/pdbx_struct_conn_angle/1
type: pdbx struct conn angle
of datablock: Crystal structure of a prion peptide
pdbx struct conn angle.id: 1
pdbx struct conn angle.ptnr1 auth asym id: A
pdbx struct conn angle.ptnr1 auth comp id: HOH
pdbx struct conn angle.ptnr1 auth seq id: 205
pdbx struct conn angle.ptnr1 label alt id: A
pdbx struct conn angle.ptnr1 label asym id: D
pdbx struct conn angle.ptnr1 label atom id: O
pdbx struct conn angle.ptnr1 label comp id: HOH
pdbx struct conn angle.ptnr1 symmetry: 1_555
pdbx struct conn angle.ptnr2 auth asym id: B
pdbx struct conn angle.ptnr2 auth comp id: NA
pdbx struct conn angle.ptnr2 auth seq id: 201
pdbx struct conn angle.ptnr2 label asym id: C
pdbx struct conn angle.ptnr2 label atom id: NA
pdbx struct conn angle.ptnr2 label comp id: NA
pdbx struct conn angle.ptnr2 symmetry: 1_555
pdbx struct conn angle.ptnr3 auth asym id: A
pdbx struct conn angle.ptnr3 auth comp id: HOH
pdbx struct conn angle.ptnr3 auth seq id: 205
pdbx struct conn angle.ptnr3 label alt id: B
pdbx struct conn angle.ptnr3 label asym id: D
pdbx struct conn angle.ptnr3 label atom id: O
pdbx struct conn angle.ptnr3 label comp id: HOH
pdbx struct conn angle.ptnr3 symmetry: 1_555
pdbx struct conn angle.value: 2.5

http://rdf.wwpdb.org/pdb/4UBZ/pdbx_struct_oper_list/1
type: pdbx struct oper list
of datablock: Crystal structure of a prion peptide
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/4UBZ/pdbx_struct_oper_list/2
type: pdbx struct oper list
of datablock: Crystal structure of a prion peptide
pdbx struct oper list.id: 2
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_655
pdbx struct oper list.symmetry operation: x+1,y,z
pdbx struct oper list.type: crystal symmetry operation
pdbx struct oper list.vector1: 11.609
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 0

http://rdf.wwpdb.org/pdb/4UBZ/pdbx_struct_oper_list/3
type: pdbx struct oper list
of datablock: Crystal structure of a prion peptide
pdbx struct oper list.id: 3
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: 2_555
pdbx struct oper list.symmetry operation: -x,y+1/2,-z
pdbx struct oper list.type: crystal symmetry operation
pdbx struct oper list.vector1: 0
pdbx struct oper list.vector2: 9.0535
pdbx struct oper list.vector3: 0

http://rdf.wwpdb.org/pdb/4UBZ/pdbx_struct_oper_list/4
type: pdbx struct oper list
of datablock: Crystal structure of a prion peptide
pdbx struct oper list.id: 4
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: 2_655
pdbx struct oper list.symmetry operation: -x+1,y+1/2,-z
pdbx struct oper list.type: crystal symmetry operation
pdbx struct oper list.vector1: 11.609
pdbx struct oper list.vector2: 9.0535
pdbx struct oper list.vector3: 0

http://rdf.wwpdb.org/pdb/4UBZ/pdbx_struct_oper_list/5
type: pdbx struct oper list
of datablock: Crystal structure of a prion peptide
pdbx struct oper list.id: 5
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: 2_545
pdbx struct oper list.symmetry operation: -x,y-1/2,-z
pdbx struct oper list.type: crystal symmetry operation
pdbx struct oper list.vector1: 0
pdbx struct oper list.vector2: -9.0535
pdbx struct oper list.vector3: 0

http://rdf.wwpdb.org/pdb/4UBZ/pdbx_struct_oper_list/6
type: pdbx struct oper list
of datablock: Crystal structure of a prion peptide
pdbx struct oper list.id: 6
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: 2_645
pdbx struct oper list.symmetry operation: -x+1,y-1/2,-z
pdbx struct oper list.type: crystal symmetry operation
pdbx struct oper list.vector1: 11.609
pdbx struct oper list.vector2: -9.0535
pdbx struct oper list.vector3: 0

1,2,AA1
type: pdbx struct sheet hbond
of datablock: Crystal structure of a prion peptide
reference to struct sheet: AA1
pdbx struct sheet hbond.range id 1: 1
pdbx struct sheet hbond.range id 2: 2
pdbx struct sheet hbond.sheet id: AA1
pdbx struct sheet hbond.range 1 auth asym id: A
pdbx struct sheet hbond.range 1 auth atom id: N
pdbx struct sheet hbond.range 1 auth comp id: LEU
pdbx struct sheet hbond.range 1 auth seq id: 130
pdbx struct sheet hbond.range 1 label asym id: A
pdbx struct sheet hbond.range 1 label atom id: N
pdbx struct sheet hbond.range 1 label comp id: LEU
pdbx struct sheet hbond.range 1 label seq id: 5
pdbx struct sheet hbond.range 2 auth asym id: B
pdbx struct sheet hbond.range 2 auth atom id: O
pdbx struct sheet hbond.range 2 auth comp id: LEU
pdbx struct sheet hbond.range 2 auth seq id: 129
pdbx struct sheet hbond.range 2 label asym id: B
pdbx struct sheet hbond.range 2 label atom id: O
pdbx struct sheet hbond.range 2 label comp id: LEU
pdbx struct sheet hbond.range 2 label seq id: 4

AA1
referenced by pdbx struct sheet hbond: 1,2,AA1
type: struct sheet
of datablock: Crystal structure of a prion peptide
struct sheet.id: AA1
struct sheet.number strands: 2
referenced by struct sheet order: 1,2,AA1
referenced by struct sheet range: 2,AA1
referenced by struct sheet range: 1,AA1

4UBZ,X-RAY DIFFRACTION
type: refine
of datablock: Crystal structure of a prion peptide
reference to entry: 4UBZ
refine.entry id: 4UBZ
refine.pdbx refine id: X-RAY DIFFRACTION
refine.b iso max: 7.11
refine.b iso mean: 2.7193
refine.b iso min: 1.39
refine.ls r factor r free: 0.1104
refine.ls r factor r work: 0.0877
refine.ls r factor obs: 0.0886
refine.ls d res high: 1.001
refine.ls d res low: 12.476
refine.ls number reflns r free: 146
refine.ls number reflns r work: 3135
refine.ls number reflns obs: 3281
refine.ls percent reflns r free: 4.45
refine.ls percent reflns obs: 83.21
refine.overall SU ML: 0.04
refine.pdbx r free selection details: Random selection
refine.pdbx diffrn id: 1
refine.pdbx ls cross valid method: FREE R-VALUE
refine.pdbx ls sigma f: 2.15
refine.pdbx method to determine struct: AB INITIO PHASING
refine.pdbx overall phase error: 8.61
refine.pdbx solvent shrinkage radii: 0.9
refine.pdbx solvent vdw probe radii: 1.11
refine.pdbx stereochemistry target values: ML
refine.solvent model details: FLAT BULK SOLVENT MODEL

final,X-RAY DIFFRACTION
type: refine hist
of datablock: Crystal structure of a prion peptide
refine hist.cycle id: final
refine hist.pdbx refine id: X-RAY DIFFRACTION
refine hist.d res high: 1.001
refine hist.d res low: 12.476
refine hist.number atoms solvent: 10
refine hist.number atoms total: 93
refine hist.pdbx b iso mean ligand: 3.29
refine hist.pdbx b iso mean solvent: 5.28
refine hist.pdbx number atoms ligand: 1
refine hist.pdbx number atoms nucleic acid: 0
refine hist.pdbx number atoms protein: 82
refine hist.pdbx number residues total: 12

X-RAY DIFFRACTION,f bond d
type: refine ls restr
of datablock: Crystal structure of a prion peptide
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: f_bond_d
refine ls restr.dev ideal: 0.006
refine ls restr.number: 82

X-RAY DIFFRACTION,f angle d
type: refine ls restr
of datablock: Crystal structure of a prion peptide
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: f_angle_d
refine ls restr.dev ideal: 1.358
refine ls restr.number: 108

X-RAY DIFFRACTION,f chiral restr
type: refine ls restr
of datablock: Crystal structure of a prion peptide
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: f_chiral_restr
refine ls restr.dev ideal: 0.053
refine ls restr.number: 10

X-RAY DIFFRACTION,f plane restr
type: refine ls restr
of datablock: Crystal structure of a prion peptide
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: f_plane_restr
refine ls restr.dev ideal: 0.004
refine ls restr.number: 14

X-RAY DIFFRACTION,f dihedral angle d
type: refine ls restr
of datablock: Crystal structure of a prion peptide
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: f_dihedral_angle_d
refine ls restr.dev ideal: 6.651
refine ls restr.number: 26

1.001,X-RAY DIFFRACTION
type: refine ls shell
of datablock: Crystal structure of a prion peptide
refine ls shell.d res high: 1.001
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.1104
refine ls shell.r factor r work: 0.0877
refine ls shell.d res low: 12.4773
refine ls shell.number reflns r free: 146
refine ls shell.number reflns r work: 3135
refine ls shell.number reflns all: 3281
refine ls shell.pdbx total number of bins used: 1
refine ls shell.percent reflns obs: 83

http://rdf.wwpdb.org/pdb/4UBZ/reflns/1
type: reflns
of datablock: Crystal structure of a prion peptide
reference to entry: 4UBZ
reflns.pdbx ordinal: 1
reflns.b iso wilson estimate: 2.56
reflns.d resolution high: 1
reflns.d resolution low: 50
reflns.entry id: 4UBZ
reflns.number obs: 3289
reflns.pdbx rmerge i obs: 0.074
reflns.pdbx chi squared: 1.227
reflns.pdbx diffrn id: 1
reflns.pdbx net i over av sigma i: 15.454
reflns.pdbx net i over sigma i: 14.4
reflns.pdbx number measured all: 9659
reflns.pdbx redundancy: 2.9
reflns.percent possible obs: 83.2

http://rdf.wwpdb.org/pdb/4UBZ/reflns_shell/1
type: reflns shell
of datablock: Crystal structure of a prion peptide
reflns shell.pdbx ordinal: 1
reflns shell.rmerge i obs: 0.113
reflns shell.d res high: 1
reflns shell.d res low: 1.04
reflns shell.number unique all: 239
reflns shell.pdbx chi squared: 1.173
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 2
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 59.6

http://rdf.wwpdb.org/pdb/4UBZ/reflns_shell/2
type: reflns shell
of datablock: Crystal structure of a prion peptide
reflns shell.pdbx ordinal: 2
reflns shell.rmerge i obs: 0.112
reflns shell.d res high: 1.04
reflns shell.d res low: 1.08
reflns shell.number unique all: 268
reflns shell.pdbx chi squared: 1.176
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 2.1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 68.9

http://rdf.wwpdb.org/pdb/4UBZ/reflns_shell/3
type: reflns shell
of datablock: Crystal structure of a prion peptide
reflns shell.pdbx ordinal: 3
reflns shell.rmerge i obs: 0.109
reflns shell.d res high: 1.08
reflns shell.d res low: 1.13
reflns shell.number unique all: 294
reflns shell.pdbx chi squared: 1.213
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 2.4
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 76

http://rdf.wwpdb.org/pdb/4UBZ/reflns_shell/4
type: reflns shell
of datablock: Crystal structure of a prion peptide
reflns shell.pdbx ordinal: 4
reflns shell.rmerge i obs: 0.107
reflns shell.d res high: 1.13
reflns shell.d res low: 1.19
reflns shell.number unique all: 331
reflns shell.pdbx chi squared: 1.27
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 2.6
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 83.6

http://rdf.wwpdb.org/pdb/4UBZ/reflns_shell/5
type: reflns shell
of datablock: Crystal structure of a prion peptide
reflns shell.pdbx ordinal: 5
reflns shell.rmerge i obs: 0.098
reflns shell.d res high: 1.19
reflns shell.d res low: 1.26
reflns shell.number unique all: 328
reflns shell.pdbx chi squared: 1.228
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 2.7
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 84.3

http://rdf.wwpdb.org/pdb/4UBZ/reflns_shell/6
type: reflns shell
of datablock: Crystal structure of a prion peptide
reflns shell.pdbx ordinal: 6
reflns shell.rmerge i obs: 0.097
reflns shell.d res high: 1.26
reflns shell.d res low: 1.36
reflns shell.number unique all: 323
reflns shell.pdbx chi squared: 1.349
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 2.9
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 83.9

http://rdf.wwpdb.org/pdb/4UBZ/reflns_shell/7
type: reflns shell
of datablock: Crystal structure of a prion peptide
reflns shell.pdbx ordinal: 7
reflns shell.rmerge i obs: 0.091
reflns shell.d res high: 1.36
reflns shell.d res low: 1.49
reflns shell.number unique all: 367
reflns shell.pdbx chi squared: 1.272
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 3.1
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 91.3

http://rdf.wwpdb.org/pdb/4UBZ/reflns_shell/8
type: reflns shell
of datablock: Crystal structure of a prion peptide
reflns shell.pdbx ordinal: 8
reflns shell.rmerge i obs: 0.081
reflns shell.d res high: 1.49
reflns shell.d res low: 1.71
reflns shell.number unique all: 357
reflns shell.pdbx chi squared: 1.138
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 3.3
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 91.8

http://rdf.wwpdb.org/pdb/4UBZ/reflns_shell/9
type: reflns shell
of datablock: Crystal structure of a prion peptide
reflns shell.pdbx ordinal: 9
reflns shell.rmerge i obs: 0.069
reflns shell.d res high: 1.71
reflns shell.d res low: 2.15
reflns shell.number unique all: 388
reflns shell.pdbx chi squared: 1.252
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 3.5
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 96.3

http://rdf.wwpdb.org/pdb/4UBZ/reflns_shell/10
type: reflns shell
of datablock: Crystal structure of a prion peptide
reflns shell.pdbx ordinal: 10
reflns shell.rmerge i obs: 0.056
reflns shell.d res high: 2.15
reflns shell.d res low: 50
reflns shell.number unique all: 394
reflns shell.pdbx chi squared: 1.184
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 3.9
reflns shell.pdbx rejects: 0
reflns shell.percent possible all: 95.2

http://rdf.wwpdb.org/pdb/4UBZ/software/1
type: software
of datablock: Crystal structure of a prion peptide
software.pdbx ordinal: 1
software.classification: data reduction
software.name: HKL-2000

http://rdf.wwpdb.org/pdb/4UBZ/software/2
type: software
of datablock: Crystal structure of a prion peptide
software.pdbx ordinal: 2
software.classification: data extraction
software.name: PDB_EXTRACT
software.version: 3.14

http://rdf.wwpdb.org/pdb/4UBZ/software/3
type: software
of datablock: Crystal structure of a prion peptide
software.pdbx ordinal: 3
software.classification: data scaling
software.name: HKL-2000

http://rdf.wwpdb.org/pdb/4UBZ/software/4
type: software
of datablock: Crystal structure of a prion peptide
software.pdbx ordinal: 4
software.classification: refinement
software.name: PHENIX
software.version: (phenix.refine: 1.9_1692)

http://rdf.wwpdb.org/pdb/4UBZ/software/5
type: software
of datablock: Crystal structure of a prion peptide
software.pdbx ordinal: 5
software.classification: phasing
software.name: SHELX

http://rdf.wwpdb.org/pdb/4UBZ/software/6
type: software
of datablock: Crystal structure of a prion peptide
software.pdbx ordinal: 6
software.classification: data reduction
software.name: DENZO

http://rdf.wwpdb.org/pdb/4UBZ/software/7
type: software
of datablock: Crystal structure of a prion peptide
software.pdbx ordinal: 7
software.classification: data scaling
software.name: SCALEPACK

4UBZ
type: struct
of datablock: Crystal structure of a prion peptide
reference to entry: 4UBZ
struct.entry id: 4UBZ
struct.title: Crystal structure of a prion peptide

http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/C
type: struct asym
of datablock: Crystal structure of a prion peptide
reference to entity: http://rdf.wwpdb.org/pdb/4UBZ/entity/2
struct asym.id: C
struct asym.entity id: 2
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/D
type: struct asym
of datablock: Crystal structure of a prion peptide
reference to entity: http://rdf.wwpdb.org/pdb/4UBZ/entity/3
struct asym.id: D
struct asym.entity id: 3
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

http://rdf.wwpdb.org/pdb/4UBZ/struct_asym/E
type: struct asym
of datablock: Crystal structure of a prion peptide
reference to entity: http://rdf.wwpdb.org/pdb/4UBZ/entity/3
struct asym.id: E
struct asym.entity id: 3
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

http://rdf.wwpdb.org/pdb/4UBZ/struct_biol/1
type: struct biol
of datablock: Crystal structure of a prion peptide
struct biol.id: 1
struct biol.details: BIOLOGICAL UNIT DISPLAYS ONLY A PORTION OF THE CRYSTAL LATTICE TO DEMONSTRATE THE CRYSTAL PACKING CONTENT. THE CRYSTAL PACKING IS FORMED BY A REPETITION IN BOTH DIRECTIONS OF THE PORTION INDICATED IN REMARK 350.

metalc1
type: struct conn
of datablock: Crystal structure of a prion peptide
reference to struct conn type: metalc
struct conn.id: metalc1
struct conn.conn type id: metalc
struct conn.pdbx dist value: 2.999
struct conn.pdbx ptnr1 label alt id: A
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: HOH
struct conn.ptnr1 auth seq id: 205
struct conn.ptnr1 label asym id: D
struct conn.ptnr1 label atom id: O
struct conn.ptnr1 label comp id: HOH
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: B
struct conn.ptnr2 auth comp id: NA
struct conn.ptnr2 auth seq id: 201
struct conn.ptnr2 label asym id: C
struct conn.ptnr2 label atom id: NA
struct conn.ptnr2 label comp id: NA
struct conn.ptnr2 symmetry: 1_555

metalc
referenced by struct conn: metalc1
referenced by struct conn: metalc2
type: struct conn type
of datablock: Crystal structure of a prion peptide
struct conn type.id: metalc

metalc2
type: struct conn
of datablock: Crystal structure of a prion peptide
reference to struct conn type: metalc
struct conn.id: metalc2
struct conn.conn type id: metalc
struct conn.pdbx dist value: 2.195
struct conn.pdbx ptnr1 label alt id: B
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: HOH
struct conn.ptnr1 auth seq id: 205
struct conn.ptnr1 label asym id: D
struct conn.ptnr1 label atom id: O
struct conn.ptnr1 label comp id: HOH
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: B
struct conn.ptnr2 auth comp id: NA
struct conn.ptnr2 auth seq id: 201
struct conn.ptnr2 label asym id: C
struct conn.ptnr2 label atom id: NA
struct conn.ptnr2 label comp id: NA
struct conn.ptnr2 symmetry: 1_555

4UBZ
type: struct keywords
of datablock: Crystal structure of a prion peptide
reference to entry: 4UBZ
struct keywords.entry id: 4UBZ
struct keywords.pdbx keywords: de novo protein, membrane protein
struct keywords.text: prion peptide, de novo protein, membrane protein

http://rdf.wwpdb.org/pdb/4UBZ/struct_ref/1
type: struct ref
of datablock: Crystal structure of a prion peptide
reference to entity: http://rdf.wwpdb.org/pdb/4UBZ/entity/1
struct ref.id: 1
struct ref.db code: 4UBZ
struct ref.db name: PDB
struct ref.entity id: 1
struct ref.pdbx align begin: 1
struct ref.pdbx db accession: 4UBZ
referenced by struct ref seq: http://rdf.wwpdb.org/pdb/4UBZ/struct_ref_seq/2
referenced by struct ref seq: http://rdf.wwpdb.org/pdb/4UBZ/struct_ref_seq/1

http://rdf.wwpdb.org/pdb/4UBZ/struct_ref_seq/1
type: struct ref seq
of datablock: Crystal structure of a prion peptide
reference to struct ref: http://rdf.wwpdb.org/pdb/4UBZ/struct_ref/1
struct ref seq.align id: 1
struct ref seq.db align beg: 126
struct ref seq.db align end: 131
struct ref seq.pdbx PDB id code: 4UBZ
struct ref seq.pdbx auth seq align beg: 126
struct ref seq.pdbx auth seq align end: 131
struct ref seq.pdbx db accession: 4UBZ
struct ref seq.pdbx strand id: A
struct ref seq.ref id: 1
struct ref seq.seq align beg: 1
struct ref seq.seq align end: 6

http://rdf.wwpdb.org/pdb/4UBZ/struct_ref_seq/2
type: struct ref seq
of datablock: Crystal structure of a prion peptide
reference to struct ref: http://rdf.wwpdb.org/pdb/4UBZ/struct_ref/1
struct ref seq.align id: 2
struct ref seq.db align beg: 126
struct ref seq.db align end: 131
struct ref seq.pdbx PDB id code: 4UBZ
struct ref seq.pdbx auth seq align beg: 126
struct ref seq.pdbx auth seq align end: 131
struct ref seq.pdbx db accession: 4UBZ
struct ref seq.pdbx strand id: B
struct ref seq.ref id: 1
struct ref seq.seq align beg: 1
struct ref seq.seq align end: 6

1,2,AA1
type: struct sheet order
of datablock: Crystal structure of a prion peptide
reference to struct sheet: AA1
struct sheet order.range id 1: 1
struct sheet order.range id 2: 2
struct sheet order.sheet id: AA1
struct sheet order.sense: anti-parallel

1,AA1
type: struct sheet range
of datablock: Crystal structure of a prion peptide
reference to struct sheet: AA1
struct sheet range.id: 1
struct sheet range.sheet id: AA1
struct sheet range.beg auth asym id: A
struct sheet range.beg auth comp id: LEU
struct sheet range.beg auth seq id: 129
struct sheet range.beg label asym id: A
struct sheet range.beg label comp id: LEU
struct sheet range.beg label seq id: 4
struct sheet range.end auth asym id: A
struct sheet range.end auth comp id: LEU
struct sheet range.end auth seq id: 130
struct sheet range.end label asym id: A
struct sheet range.end label comp id: LEU
struct sheet range.end label seq id: 5

2,AA1
type: struct sheet range
of datablock: Crystal structure of a prion peptide
reference to struct sheet: AA1
struct sheet range.id: 2
struct sheet range.sheet id: AA1
struct sheet range.beg auth asym id: B
struct sheet range.beg auth comp id: LEU
struct sheet range.beg auth seq id: 129
struct sheet range.beg label asym id: B
struct sheet range.beg label comp id: LEU
struct sheet range.beg label seq id: 4
struct sheet range.end auth asym id: B
struct sheet range.end auth comp id: LEU
struct sheet range.end auth seq id: 130
struct sheet range.end label asym id: B
struct sheet range.end label comp id: LEU
struct sheet range.end label seq id: 5

AC1
type: struct site
of datablock: Crystal structure of a prion peptide
struct site.id: AC1
struct site.details: binding site for residue NA B 201
struct site.pdbx auth asym id: B
struct site.pdbx auth comp id: NA
struct site.pdbx auth seq id: 201
struct site.pdbx evidence code: Software
struct site.pdbx num residues: 2
referenced by struct site gen: 2,AC1
referenced by struct site gen: 1,AC1

1,AC1
type: struct site gen
of datablock: Crystal structure of a prion peptide
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: HOH
struct site gen.auth seq id: 205
struct site gen.label asym id: D
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 2
struct site gen.symmetry: 1_555

2,AC1
type: struct site gen
of datablock: Crystal structure of a prion peptide
reference to struct site: AC1
struct site gen.id: 2
struct site gen.site id: AC1
struct site gen.auth asym id: B
struct site gen.auth comp id: GLY
struct site gen.auth seq id: 131
struct site gen.label asym id: B
struct site gen.label comp id: GLY
struct site gen.label seq id: 6
struct site gen.pdbx num res: 2
struct site gen.symmetry: 1_555

4UBZ
type: symmetry
of datablock: Crystal structure of a prion peptide
reference to entry: 4UBZ
symmetry.entry id: 4UBZ
symmetry.int tables number: 4
symmetry.space group name H-M: P 1 21 1