S2 symmetric peptide design number 6, London Bridge
type: datablock
alternative label: 6UF8
link to mmcif: 6UF8.cif.gz
link to pdbml: 6UF8.xml.gz
link to pdbml noatom: 6UF8-noatom.xml.gz
link to pdbml extatom: 6UF8-extatom.xml.gz
link to doi: doi:10.2210/pdb6UF8/pdb
datablock name: 6UF8-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 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 details category: pdbx audit revision detailsCategory
has pdbx audit revision history category: pdbx audit revision historyCategory
has pdbx audit support category: pdbx audit supportCategory
has pdbx database status category: pdbx database statusCategory
has pdbx distant solvent atoms category: pdbx distant solvent atomsCategory
has pdbx entity nonpoly category: pdbx entity nonpolyCategory
has pdbx entity src syn category: pdbx entity src synCategory
has pdbx entry details category: pdbx entry detailsCategory
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 auth evidence category: pdbx struct assembly auth evidenceCategory
has pdbx struct assembly gen category: pdbx struct assembly genCategory
has pdbx struct oper list category: pdbx struct oper listCategory
has pdbx struct special symmetry category: pdbx struct special symmetryCategory
has pdbx unobs or zero occ residues category: pdbx unobs or zero occ residuesCategory
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 space group category: space groupCategory
has space group symop category: space group symopCategory
has struct category: structCategory
has struct asym category: struct asymCategory
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 symmetry category: symmetryCategory

6UF8
type: atom sites
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entry: 6UF8
atom sites.entry id: 6UF8
atom sites.fract transf matrix11: 0.030562
atom sites.fract transf matrix12: 0.017645
atom sites.fract transf matrix13: 0
atom sites.fract transf matrix21: 0
atom sites.fract transf matrix22: 0.03529
atom sites.fract transf matrix23: 0
atom sites.fract transf matrix31: 0
atom sites.fract transf matrix32: 0
atom sites.fract transf matrix33: 0.039308
atom sites.fract transf vector1: 0
atom sites.fract transf vector2: 0
atom sites.fract transf vector3: 0

6UF8
referenced by atom sites: 6UF8
referenced by cell: 6UF8
type: entry
of datablock: S2 symmetric peptide design number 6, London Bridge
entry.id: 6UF8
referenced by exptl: 6UF8,X-RAY DIFFRACTION
referenced by refine: 6UF8,X-RAY DIFFRACTION
referenced by reflns: http://rdf.wwpdb.org/pdb/6UF8/reflns/1
referenced by struct: 6UF8
referenced by struct keywords: 6UF8
referenced by symmetry: 6UF8
referenced by pdbx database status: 6UF8
referenced by pdbx entry details: 6UF8

http://rdf.wwpdb.org/pdb/6UF8/atom_type/C
type: atom type
of datablock: S2 symmetric peptide design number 6, London Bridge
atom type.symbol: C
atom type.scat cromer mann a1: 2.5134
atom type.scat cromer mann a2: 1.74867
atom type.scat cromer mann a3: 1.72398
atom type.scat cromer mann b1: 31.80534
atom type.scat cromer mann b2: 0.44561
atom type.scat cromer mann b3: 10.58317
atom type.scat cromer mann c: 0
atom type.scat source: 3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.

http://rdf.wwpdb.org/pdb/6UF8/atom_type/H
type: atom type
of datablock: S2 symmetric peptide design number 6, London Bridge
atom type.symbol: H
atom type.scat cromer mann a1: 0.53795
atom type.scat cromer mann a2: 0.34799
atom type.scat cromer mann a3: 0.1132
atom type.scat cromer mann b1: 10.08003
atom type.scat cromer mann b2: 29.7476
atom type.scat cromer mann b3: 2.5751
atom type.scat cromer mann c: 0
atom type.scat source: 3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.

http://rdf.wwpdb.org/pdb/6UF8/atom_type/N
type: atom type
of datablock: S2 symmetric peptide design number 6, London Bridge
atom type.symbol: N
atom type.scat cromer mann a1: 2.99955
atom type.scat cromer mann a2: 2.25584
atom type.scat cromer mann a3: 1.72788
atom type.scat cromer mann b1: 23.27268
atom type.scat cromer mann b2: 7.45433
atom type.scat cromer mann b3: 0.31622
atom type.scat cromer mann c: 0
atom type.scat source: 3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.

http://rdf.wwpdb.org/pdb/6UF8/atom_type/O
type: atom type
of datablock: S2 symmetric peptide design number 6, London Bridge
atom type.symbol: O
atom type.scat cromer mann a1: 3.21184
atom type.scat cromer mann a2: 3.04156
atom type.scat cromer mann a3: 1.73156
atom type.scat cromer mann b1: 18.837
atom type.scat cromer mann b2: 5.9059
atom type.scat cromer mann b3: 0.24126
atom type.scat cromer mann c: 0
atom type.scat source: 3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.

http://rdf.wwpdb.org/pdb/6UF8/audit_author/1
type: audit author
of datablock: S2 symmetric peptide design number 6, London Bridge
audit author.pdbx ordinal: 1
audit author.identifier ORCID: 0000-0001-6038-8922
audit author.name: Mulligan, V.K.

http://rdf.wwpdb.org/pdb/6UF8/audit_author/2
type: audit author
of datablock: S2 symmetric peptide design number 6, London Bridge
audit author.pdbx ordinal: 2
audit author.identifier ORCID: 0000-0003-0959-0783
audit author.name: Kang, C.S.

http://rdf.wwpdb.org/pdb/6UF8/audit_author/3
type: audit author
of datablock: S2 symmetric peptide design number 6, London Bridge
audit author.pdbx ordinal: 3
audit author.identifier ORCID: 0000-0002-2208-9937
audit author.name: Antselovich, I.

http://rdf.wwpdb.org/pdb/6UF8/audit_author/4
type: audit author
of datablock: S2 symmetric peptide design number 6, London Bridge
audit author.pdbx ordinal: 4
audit author.identifier ORCID: 0000-0003-0874-9043
audit author.name: Sawaya, M.R.

http://rdf.wwpdb.org/pdb/6UF8/audit_author/5
type: audit author
of datablock: S2 symmetric peptide design number 6, London Bridge
audit author.pdbx ordinal: 5
audit author.identifier ORCID: 0000-0001-5709-9839
audit author.name: Yeates, T.O.

http://rdf.wwpdb.org/pdb/6UF8/audit_author/6
type: audit author
of datablock: S2 symmetric peptide design number 6, London Bridge
audit author.pdbx ordinal: 6
audit author.identifier ORCID: 0000-0001-7896-6217
audit author.name: Baker, D.

mmcif pdbx.dic,5.336
type: audit conform
of datablock: S2 symmetric peptide design number 6, London Bridge
audit conform.dict name: mmcif_pdbx.dic
audit conform.dict version: 5.336
audit conform.dict location: http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic

6UF8
type: cell
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entry: 6UF8
cell.entry id: 6UF8
cell.z PDB: 18
cell.angle alpha: 90
cell.angle beta: 90
cell.angle gamma: 120
cell.length a: 32.72
cell.length b: 32.72
cell.length c: 25.44
cell.volume: 23587.09

ALA
type: chem comp
of datablock: S2 symmetric peptide design number 6, London Bridge
chem comp.id: ALA
chem comp.formula: C3 H7 N O2
chem comp.formula weight: 89.093
chem comp.mon nstd flag: y
chem comp.name: ALANINE
chem comp.type: L-peptide linking
link to chem comp: ALA
referenced by entity poly seq: 1,ALA,7
referenced by pdbx unobs or zero occ residues: http://rdf.wwpdb.org/pdb/6UF8/pdbx_unobs_or_zero_occ_residues/1

ASN
type: chem comp
of datablock: S2 symmetric peptide design number 6, London Bridge
chem comp.id: ASN
chem comp.formula: C4 H8 N2 O3
chem comp.formula weight: 132.118
chem comp.mon nstd flag: y
chem comp.name: ASPARAGINE
chem comp.type: L-peptide linking
link to chem comp: ASN
referenced by entity poly seq: 1,ASN,2

DAL
type: chem comp
of datablock: S2 symmetric peptide design number 6, London Bridge
chem comp.id: DAL
chem comp.formula: C3 H7 N O2
chem comp.formula weight: 89.093
chem comp.name: D-ALANINE
chem comp.type: D-peptide linking
link to chem comp: DAL
referenced by entity poly seq: 1,DAL,1

DGL
type: chem comp
of datablock: S2 symmetric peptide design number 6, London Bridge
chem comp.id: DGL
chem comp.formula: C5 H9 N O4
chem comp.formula weight: 147.129
chem comp.name: D-GLUTAMIC ACID
chem comp.type: D-peptide linking
link to chem comp: DGL
referenced by entity poly seq: 1,DGL,6

DHI
type: chem comp
of datablock: S2 symmetric peptide design number 6, London Bridge
chem comp.id: DHI
chem comp.formula: C6 H10 N3 O2 1
chem comp.formula weight: 156.162
chem comp.name: D-HISTIDINE
chem comp.type: D-peptide linking
link to chem comp: DHI
referenced by entity poly seq: 1,DHI,4

DLY
type: chem comp
of datablock: S2 symmetric peptide design number 6, London Bridge
chem comp.id: DLY
chem comp.formula: C6 H14 N2 O2
chem comp.formula weight: 146.188
chem comp.name: D-LYSINE
chem comp.type: D-peptide linking
link to chem comp: DLY
referenced by entity poly seq: 1,DLY,3

DPR
type: chem comp
of datablock: S2 symmetric peptide design number 6, London Bridge
chem comp.id: DPR
chem comp.formula: C5 H9 N O2
chem comp.formula weight: 115.13
chem comp.name: D-PROLINE
chem comp.type: D-peptide linking
link to chem comp: DPR
referenced by entity poly seq: 1,DPR,11
referenced by pdbx unobs or zero occ residues: http://rdf.wwpdb.org/pdb/6UF8/pdbx_unobs_or_zero_occ_residues/5

DSG
type: chem comp
of datablock: S2 symmetric peptide design number 6, London Bridge
chem comp.id: DSG
chem comp.formula: C4 H8 N2 O3
chem comp.formula weight: 132.118
chem comp.name: D-ASPARAGINE
chem comp.type: D-peptide linking
link to chem comp: DSG
referenced by entity poly seq: 1,DSG,8
referenced by pdbx unobs or zero occ residues: http://rdf.wwpdb.org/pdb/6UF8/pdbx_unobs_or_zero_occ_residues/2

GLU
type: chem comp
of datablock: S2 symmetric peptide design number 6, London Bridge
chem comp.id: GLU
chem comp.formula: C5 H9 N O4
chem comp.formula weight: 147.129
chem comp.mon nstd flag: y
chem comp.name: GLUTAMIC ACID
chem comp.type: L-peptide linking
link to chem comp: GLU
referenced by entity poly seq: 1,GLU,12
referenced by pdbx unobs or zero occ residues: http://rdf.wwpdb.org/pdb/6UF8/pdbx_unobs_or_zero_occ_residues/6

HIS
type: chem comp
of datablock: S2 symmetric peptide design number 6, London Bridge
chem comp.id: HIS
chem comp.formula: C6 H10 N3 O2 1
chem comp.formula weight: 156.162
chem comp.mon nstd flag: y
chem comp.name: HISTIDINE
chem comp.type: L-peptide linking
link to chem comp: HIS
referenced by entity poly seq: 1,HIS,10
referenced by pdbx unobs or zero occ residues: http://rdf.wwpdb.org/pdb/6UF8/pdbx_unobs_or_zero_occ_residues/4

HOH
type: chem comp
of datablock: S2 symmetric peptide design number 6, London Bridge
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 pdbx distant solvent atoms: http://rdf.wwpdb.org/pdb/6UF8/pdbx_distant_solvent_atoms/1

LYS
type: chem comp
of datablock: S2 symmetric peptide design number 6, London Bridge
chem comp.id: LYS
chem comp.formula: C6 H15 N2 O2 1
chem comp.formula weight: 147.195
chem comp.mon nstd flag: y
chem comp.name: LYSINE
chem comp.type: L-peptide linking
link to chem comp: LYS
referenced by entity poly seq: 1,LYS,9
referenced by pdbx unobs or zero occ residues: http://rdf.wwpdb.org/pdb/6UF8/pdbx_unobs_or_zero_occ_residues/3

PRO
type: chem comp
of datablock: S2 symmetric peptide design number 6, London Bridge
chem comp.id: PRO
chem comp.formula: C5 H9 N O2
chem comp.formula weight: 115.13
chem comp.mon nstd flag: y
chem comp.name: PROLINE
chem comp.type: L-peptide linking
link to chem comp: PRO
referenced by entity poly seq: 1,PRO,5

primary
type: citation
of datablock: S2 symmetric peptide design number 6, London Bridge
citation.id: primary
citation.country: US
citation.journal abbrev: Protein Sci.
citation.journal id ASTM: PRCIEI
citation.journal id CSD: 0795
citation.journal id ISSN: 1469-896X
citation.journal volume: 29
citation.page first: 2433
citation.page last: 2445
citation.pdbx database id DOI: 10.1002/pro.3974
citation.pdbx database id pub med: 33058266
citation.title: Computational design of mixed chirality peptide macrocycles with internal symmetry.
citation.year: 2020
link to doi: doi:10.1002/pro.3974
link to pubmed: pubmed:33058266
references: pubmed:33058266
referenced by citation author: primary,Baker, D.,12
referenced by citation author: primary,Mulligan, V.K.,1
referenced by citation author: primary,Kang, C.S.,2
referenced by citation author: primary,Sawaya, M.R.,3
referenced by citation author: primary,Rettie, S.,4
referenced by citation author: primary,Li, X.,5
referenced by citation author: primary,Antselovich, I.,6
referenced by citation author: primary,Craven, T.W.,7
referenced by citation author: primary,Watkins, A.M.,8
referenced by citation author: primary,Labonte, J.W.,9
referenced by citation author: primary,DiMaio, F.,10
referenced by citation author: primary,Yeates, T.O.,11

primary,Mulligan, V.K.,1
type: citation author
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to citation: primary
citation author.citation id: primary
citation author.name: Mulligan, V.K.
citation author.ordinal: 1
citation author.identifier ORCID: 0000-0001-6038-8922

primary,Kang, C.S.,2
type: citation author
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to citation: primary
citation author.citation id: primary
citation author.name: Kang, C.S.
citation author.ordinal: 2
citation author.identifier ORCID: 0000-0003-0959-0783

primary,Sawaya, M.R.,3
type: citation author
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to citation: primary
citation author.citation id: primary
citation author.name: Sawaya, M.R.
citation author.ordinal: 3

primary,Rettie, S.,4
type: citation author
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to citation: primary
citation author.citation id: primary
citation author.name: Rettie, S.
citation author.ordinal: 4

primary,Li, X.,5
type: citation author
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to citation: primary
citation author.citation id: primary
citation author.name: Li, X.
citation author.ordinal: 5

primary,Antselovich, I.,6
type: citation author
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to citation: primary
citation author.citation id: primary
citation author.name: Antselovich, I.
citation author.ordinal: 6

primary,Craven, T.W.,7
type: citation author
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to citation: primary
citation author.citation id: primary
citation author.name: Craven, T.W.
citation author.ordinal: 7

primary,Watkins, A.M.,8
type: citation author
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to citation: primary
citation author.citation id: primary
citation author.name: Watkins, A.M.
citation author.ordinal: 8

primary,Labonte, J.W.,9
type: citation author
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to citation: primary
citation author.citation id: primary
citation author.name: Labonte, J.W.
citation author.ordinal: 9

primary,DiMaio, F.,10
type: citation author
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to citation: primary
citation author.citation id: primary
citation author.name: DiMaio, F.
citation author.ordinal: 10

primary,Yeates, T.O.,11
type: citation author
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to citation: primary
citation author.citation id: primary
citation author.name: Yeates, T.O.
citation author.ordinal: 11
citation author.identifier ORCID: 0000-0001-5709-9839

primary,Baker, D.,12
type: citation author
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to citation: primary
citation author.citation id: primary
citation author.name: Baker, D.
citation author.ordinal: 12

6UF8,PDB
type: database 2
of datablock: S2 symmetric peptide design number 6, London Bridge
database 2.database code: 6UF8
database 2.database id: PDB

D 1000244518,WWPDB
type: database 2
of datablock: S2 symmetric peptide design number 6, London Bridge
database 2.database code: D_1000244518
database 2.database id: WWPDB

http://rdf.wwpdb.org/pdb/6UF8/diffrn/1
type: diffrn
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to exptl crystal: http://rdf.wwpdb.org/pdb/6UF8/exptl_crystal/1
diffrn.id: 1
diffrn.ambient temp: 100
diffrn.crystal id: 1
diffrn.pdbx serial crystal experiment: N
referenced by diffrn detector: http://rdf.wwpdb.org/pdb/6UF8/diffrn_detector/1
referenced by diffrn radiation: http://rdf.wwpdb.org/pdb/6UF8/diffrn_radiation/1
referenced by diffrn source: http://rdf.wwpdb.org/pdb/6UF8/diffrn_source/1

http://rdf.wwpdb.org/pdb/6UF8/exptl_crystal/1
referenced by diffrn: http://rdf.wwpdb.org/pdb/6UF8/diffrn/1
type: exptl crystal
of datablock: S2 symmetric peptide design number 6, London Bridge
exptl crystal.id: 1
exptl crystal.density matthews: 1.88
exptl crystal.density percent sol: 34.69
referenced by exptl crystal grow: http://rdf.wwpdb.org/pdb/6UF8/exptl_crystal_grow/1

http://rdf.wwpdb.org/pdb/6UF8/diffrn_detector/1
type: diffrn detector
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to diffrn: http://rdf.wwpdb.org/pdb/6UF8/diffrn/1
diffrn detector.diffrn id: 1
diffrn detector.detector: PIXEL
diffrn detector.pdbx collection date: 2017-10-25
diffrn detector.type: DECTRIS PILATUS 6M-F

http://rdf.wwpdb.org/pdb/6UF8/diffrn_radiation/1
type: diffrn radiation
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to diffrn: http://rdf.wwpdb.org/pdb/6UF8/diffrn/1
diffrn radiation.diffrn id: 1
diffrn radiation.monochromator: Si (111)
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/6UF8/diffrn_radiation_wavelength/1
type: diffrn radiation wavelength
of datablock: S2 symmetric peptide design number 6, London Bridge
diffrn radiation wavelength.id: 1
diffrn radiation wavelength.wavelength: 0.8856
diffrn radiation wavelength.wt: 1

http://rdf.wwpdb.org/pdb/6UF8/diffrn_source/1
type: diffrn source
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to diffrn: http://rdf.wwpdb.org/pdb/6UF8/diffrn/1
diffrn source.diffrn id: 1
diffrn source.pdbx synchrotron beamline: 24-ID-C
diffrn source.pdbx synchrotron site: APS
diffrn source.pdbx wavelength list: 0.8856
diffrn source.source: SYNCHROTRON
diffrn source.type: APS BEAMLINE 24-ID-C

http://rdf.wwpdb.org/pdb/6UF8/entity/1
type: entity
of datablock: S2 symmetric peptide design number 6, London Bridge
entity.id: 1
entity.details: The asymmetric unit contains half of the molecule. The second half is generated by a crystallographic symmetry operator.
entity.formula weight: 1374.48
entity.pdbx description: S2-6, London Bridge
entity.pdbx number of molecules: 1
entity.src method: syn
entity.type: polymer
referenced by entity poly: http://rdf.wwpdb.org/pdb/6UF8/entity_poly/1
referenced by struct asym: http://rdf.wwpdb.org/pdb/6UF8/struct_asym/A
referenced by struct ref: http://rdf.wwpdb.org/pdb/6UF8/struct_ref/1
referenced by pdbx entity src syn: 1,1

http://rdf.wwpdb.org/pdb/6UF8/entity/2
type: entity
of datablock: S2 symmetric peptide design number 6, London Bridge
entity.id: 2
entity.formula weight: 18.015
entity.pdbx description: water
entity.pdbx number of molecules: 12
entity.src method: nat
entity.type: water
referenced by struct asym: http://rdf.wwpdb.org/pdb/6UF8/struct_asym/B
referenced by pdbx entity nonpoly: http://rdf.wwpdb.org/pdb/6UF8/pdbx_entity_nonpoly/2

http://rdf.wwpdb.org/pdb/6UF8/entity_poly/1
type: entity poly
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity: http://rdf.wwpdb.org/pdb/6UF8/entity/1
entity poly.entity id: 1
entity poly.nstd linkage: no
entity poly.nstd monomer: yes
entity poly.pdbx seq one letter code: (DAL)N(DLY)(DHI)P(DGL)A(DSG)KH(DPR)E
entity poly.pdbx seq one letter code can: ANKHPEANKHPE
entity poly.pdbx strand id: A
entity poly.type: polypeptide(D)
referenced by entity poly seq: 1,GLU,12
referenced by entity poly seq: 1,DAL,1
referenced by entity poly seq: 1,ASN,2
referenced by entity poly seq: 1,DLY,3
referenced by entity poly seq: 1,DHI,4
referenced by entity poly seq: 1,PRO,5
referenced by entity poly seq: 1,DGL,6
referenced by entity poly seq: 1,ALA,7
referenced by entity poly seq: 1,DSG,8
referenced by entity poly seq: 1,LYS,9
referenced by entity poly seq: 1,HIS,10
referenced by entity poly seq: 1,DPR,11

1,DAL,1
type: entity poly seq
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: DAL
reference to entity poly: http://rdf.wwpdb.org/pdb/6UF8/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DAL
entity poly seq.num: 1
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DAL,1

1,ASN,2
type: entity poly seq
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: ASN
reference to entity poly: http://rdf.wwpdb.org/pdb/6UF8/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASN
entity poly seq.num: 2
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASN,2

1,DLY,3
type: entity poly seq
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: DLY
reference to entity poly: http://rdf.wwpdb.org/pdb/6UF8/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DLY
entity poly seq.num: 3
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DLY,3

1,DHI,4
type: entity poly seq
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: DHI
reference to entity poly: http://rdf.wwpdb.org/pdb/6UF8/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DHI
entity poly seq.num: 4
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DHI,4

1,PRO,5
type: entity poly seq
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: PRO
reference to entity poly: http://rdf.wwpdb.org/pdb/6UF8/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PRO
entity poly seq.num: 5
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PRO,5

1,DGL,6
type: entity poly seq
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: DGL
reference to entity poly: http://rdf.wwpdb.org/pdb/6UF8/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DGL
entity poly seq.num: 6
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DGL,6

1,ALA,7
type: entity poly seq
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: ALA
reference to entity poly: http://rdf.wwpdb.org/pdb/6UF8/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ALA
entity poly seq.num: 7
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ALA,7

1,DSG,8
type: entity poly seq
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: DSG
reference to entity poly: http://rdf.wwpdb.org/pdb/6UF8/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DSG
entity poly seq.num: 8
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DSG,8

1,LYS,9
type: entity poly seq
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/6UF8/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 9
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,9

1,HIS,10
type: entity poly seq
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: HIS
reference to entity poly: http://rdf.wwpdb.org/pdb/6UF8/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: HIS
entity poly seq.num: 10
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,HIS,10

1,DPR,11
type: entity poly seq
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: DPR
reference to entity poly: http://rdf.wwpdb.org/pdb/6UF8/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DPR
entity poly seq.num: 11
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DPR,11

1,GLU,12
type: entity poly seq
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: GLU
reference to entity poly: http://rdf.wwpdb.org/pdb/6UF8/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLU
entity poly seq.num: 12
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLU,12

6UF8,X-RAY DIFFRACTION
type: exptl
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entry: 6UF8
exptl.entry id: 6UF8
exptl.method: X-RAY DIFFRACTION
exptl.crystals number: 1

http://rdf.wwpdb.org/pdb/6UF8/exptl_crystal_grow/1
type: exptl crystal grow
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to exptl crystal: http://rdf.wwpdb.org/pdb/6UF8/exptl_crystal/1
exptl crystal grow.crystal id: 1
exptl crystal grow.method: VAPOR DIFFUSION, HANGING DROP
exptl crystal grow.p h: 4.2
exptl crystal grow.pdbx details: 0.1 M phosphate/citrate pH 4.2, 40% (v/v) PEG 300
exptl crystal grow.temp: 298

Structure model,1,1
type: pdbx audit revision details
of datablock: S2 symmetric peptide design number 6, London Bridge
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: S2 symmetric peptide design number 6, London Bridge
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: 2020-12-02

http://rdf.wwpdb.org/pdb/6UF8/pdbx_audit_support/1
type: pdbx audit support
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx audit support.ordinal: 1
pdbx audit support.country: United States
pdbx audit support.funding organization: Department of Energy (DOE, United States)
pdbx audit support.grant number: DE-FC02-02ER63421

http://rdf.wwpdb.org/pdb/6UF8/pdbx_audit_support/2
type: pdbx audit support
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx audit support.ordinal: 2
pdbx audit support.country: United States
pdbx audit support.funding organization: Department of Energy (DOE, United States)
pdbx audit support.grant number: DE-AC02-06CH11357

6UF8
type: pdbx database status
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entry: 6UF8
pdbx database status.entry id: 6UF8
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: 2019-09-23
pdbx database status.status code: REL
pdbx database status.status code sf: REL

http://rdf.wwpdb.org/pdb/6UF8/pdbx_distant_solvent_atoms/1
type: pdbx distant solvent atoms
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: HOH
pdbx distant solvent atoms.id: 1
pdbx distant solvent atoms.pdb model num: 1
pdbx distant solvent atoms.auth asym id: A
pdbx distant solvent atoms.auth atom id: O
pdbx distant solvent atoms.auth comp id: HOH
pdbx distant solvent atoms.auth seq id: 112
pdbx distant solvent atoms.neighbor macromolecule distance: 5.82

http://rdf.wwpdb.org/pdb/6UF8/pdbx_entity_nonpoly/2
type: pdbx entity nonpoly
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity: http://rdf.wwpdb.org/pdb/6UF8/entity/2
pdbx entity nonpoly.entity id: 2
pdbx entity nonpoly.comp id: HOH
pdbx entity nonpoly.name: water

1,1
type: pdbx entity src syn
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity: http://rdf.wwpdb.org/pdb/6UF8/entity/1
pdbx entity src syn.entity id: 1
pdbx entity src syn.pdbx src id: 1
pdbx entity src syn.details: ab initio design
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: 12

6UF8
type: pdbx entry details
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entry: 6UF8
pdbx entry details.entry id: 6UF8
pdbx entry details.compound details: The asymmetric unit contains half of the molecule. The second half is generated by a crystallographic symmetry operator.
pdbx entry details.has ligand of interest: N

B,1
type: pdbx nonpoly scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 23
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 101
pdbx nonpoly scheme.pdb strand id: A

B,2
type: pdbx nonpoly scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 2
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 24
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 102
pdbx nonpoly scheme.pdb strand id: A

B,3
type: pdbx nonpoly scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 3
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 27
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 103
pdbx nonpoly scheme.pdb strand id: A

B,4
type: pdbx nonpoly scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 4
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 26
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 104
pdbx nonpoly scheme.pdb strand id: A

B,5
type: pdbx nonpoly scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 5
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 25
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 105
pdbx nonpoly scheme.pdb strand id: A

B,6
type: pdbx nonpoly scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 6
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 22
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 106
pdbx nonpoly scheme.pdb strand id: A

B,7
type: pdbx nonpoly scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 7
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 31
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 107
pdbx nonpoly scheme.pdb strand id: A

B,8
type: pdbx nonpoly scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 8
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 28
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 108
pdbx nonpoly scheme.pdb strand id: A

B,9
type: pdbx nonpoly scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 9
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 29
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 109
pdbx nonpoly scheme.pdb strand id: A

B,10
type: pdbx nonpoly scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 10
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 32
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 110
pdbx nonpoly scheme.pdb strand id: A

B,11
type: pdbx nonpoly scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 11
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 30
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 111
pdbx nonpoly scheme.pdb strand id: A

B,12
type: pdbx nonpoly scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 12
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 21
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 112
pdbx nonpoly scheme.pdb strand id: A

A,1,DAL,1
type: pdbx poly seq scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity poly seq: 1,DAL,1
reference to struct asym: http://rdf.wwpdb.org/pdb/6UF8/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DAL
pdbx poly seq scheme.seq id: 1
pdbx poly seq scheme.auth mon id: DAL
pdbx poly seq scheme.auth seq num: 1
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 1
pdbx poly seq scheme.pdb mon id: DAL
pdbx poly seq scheme.pdb seq num: 1
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/6UF8/struct_asym/A
referenced by pdbx poly seq scheme: A,1,DAL,1
referenced by pdbx poly seq scheme: A,1,ASN,2
referenced by pdbx poly seq scheme: A,1,DLY,3
referenced by pdbx poly seq scheme: A,1,DHI,4
referenced by pdbx poly seq scheme: A,1,PRO,5
referenced by pdbx poly seq scheme: A,1,DGL,6
referenced by pdbx poly seq scheme: A,1,ALA,7
referenced by pdbx poly seq scheme: A,1,DSG,8
referenced by pdbx poly seq scheme: A,1,LYS,9
referenced by pdbx poly seq scheme: A,1,HIS,10
referenced by pdbx poly seq scheme: A,1,DPR,11
referenced by pdbx poly seq scheme: A,1,GLU,12
type: struct asym
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity: http://rdf.wwpdb.org/pdb/6UF8/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,ASN,2
type: pdbx poly seq scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity poly seq: 1,ASN,2
reference to struct asym: http://rdf.wwpdb.org/pdb/6UF8/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASN
pdbx poly seq scheme.seq id: 2
pdbx poly seq scheme.auth mon id: ASN
pdbx poly seq scheme.auth seq num: 2
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 2
pdbx poly seq scheme.pdb mon id: ASN
pdbx poly seq scheme.pdb seq num: 2
pdbx poly seq scheme.pdb strand id: A

A,1,DLY,3
type: pdbx poly seq scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity poly seq: 1,DLY,3
reference to struct asym: http://rdf.wwpdb.org/pdb/6UF8/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DLY
pdbx poly seq scheme.seq id: 3
pdbx poly seq scheme.auth mon id: DLY
pdbx poly seq scheme.auth seq num: 3
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 3
pdbx poly seq scheme.pdb mon id: DLY
pdbx poly seq scheme.pdb seq num: 3
pdbx poly seq scheme.pdb strand id: A

A,1,DHI,4
type: pdbx poly seq scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity poly seq: 1,DHI,4
reference to struct asym: http://rdf.wwpdb.org/pdb/6UF8/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DHI
pdbx poly seq scheme.seq id: 4
pdbx poly seq scheme.auth mon id: DHI
pdbx poly seq scheme.auth seq num: 4
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 4
pdbx poly seq scheme.pdb mon id: DHI
pdbx poly seq scheme.pdb seq num: 4
pdbx poly seq scheme.pdb strand id: A

A,1,PRO,5
type: pdbx poly seq scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity poly seq: 1,PRO,5
reference to struct asym: http://rdf.wwpdb.org/pdb/6UF8/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PRO
pdbx poly seq scheme.seq id: 5
pdbx poly seq scheme.auth mon id: PRO
pdbx poly seq scheme.auth seq num: 5
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 5
pdbx poly seq scheme.pdb mon id: PRO
pdbx poly seq scheme.pdb seq num: 5
pdbx poly seq scheme.pdb strand id: A

A,1,DGL,6
type: pdbx poly seq scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity poly seq: 1,DGL,6
reference to struct asym: http://rdf.wwpdb.org/pdb/6UF8/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DGL
pdbx poly seq scheme.seq id: 6
pdbx poly seq scheme.auth mon id: DGL
pdbx poly seq scheme.auth seq num: 6
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 6
pdbx poly seq scheme.pdb mon id: DGL
pdbx poly seq scheme.pdb seq num: 6
pdbx poly seq scheme.pdb strand id: A

A,1,ALA,7
type: pdbx poly seq scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity poly seq: 1,ALA,7
reference to struct asym: http://rdf.wwpdb.org/pdb/6UF8/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ALA
pdbx poly seq scheme.seq id: 7
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 7
pdbx poly seq scheme.pdb seq num: 7
pdbx poly seq scheme.pdb strand id: A

A,1,DSG,8
type: pdbx poly seq scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity poly seq: 1,DSG,8
reference to struct asym: http://rdf.wwpdb.org/pdb/6UF8/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DSG
pdbx poly seq scheme.seq id: 8
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 8
pdbx poly seq scheme.pdb seq num: 8
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,9
type: pdbx poly seq scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity poly seq: 1,LYS,9
reference to struct asym: http://rdf.wwpdb.org/pdb/6UF8/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 9
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 9
pdbx poly seq scheme.pdb seq num: 9
pdbx poly seq scheme.pdb strand id: A

A,1,HIS,10
type: pdbx poly seq scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity poly seq: 1,HIS,10
reference to struct asym: http://rdf.wwpdb.org/pdb/6UF8/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: HIS
pdbx poly seq scheme.seq id: 10
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 10
pdbx poly seq scheme.pdb seq num: 10
pdbx poly seq scheme.pdb strand id: A

A,1,DPR,11
type: pdbx poly seq scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity poly seq: 1,DPR,11
reference to struct asym: http://rdf.wwpdb.org/pdb/6UF8/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DPR
pdbx poly seq scheme.seq id: 11
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 11
pdbx poly seq scheme.pdb seq num: 11
pdbx poly seq scheme.pdb strand id: A

A,1,GLU,12
type: pdbx poly seq scheme
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity poly seq: 1,GLU,12
reference to struct asym: http://rdf.wwpdb.org/pdb/6UF8/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLU
pdbx poly seq scheme.seq id: 12
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 12
pdbx poly seq scheme.pdb seq num: 12
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/6UF8/pdbx_struct_assembly/1
type: pdbx struct assembly
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx struct assembly.id: 1
pdbx struct assembly.details: author_defined_assembly
pdbx struct assembly.oligomeric count: 2
pdbx struct assembly.oligomeric details: dimeric
referenced by pdbx struct assembly gen: 1,A,B,1,2
referenced by pdbx struct assembly auth evidence: 1,1

1,1
type: pdbx struct assembly auth evidence
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/6UF8/pdbx_struct_assembly/1
pdbx struct assembly auth evidence.assembly id: 1
pdbx struct assembly auth evidence.id: 1
pdbx struct assembly auth evidence.experimental support: none

1,A,B,1,2
type: pdbx struct assembly gen
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/6UF8/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A,B
pdbx struct assembly gen.oper expression: 1,2

http://rdf.wwpdb.org/pdb/6UF8/pdbx_struct_oper_list/1
type: pdbx struct oper list
of datablock: S2 symmetric peptide design number 6, London Bridge
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/6UF8/pdbx_struct_oper_list/2
type: pdbx struct oper list
of datablock: S2 symmetric peptide design number 6, London Bridge
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: 10_555
pdbx struct oper list.symmetry operation: -x+2/3,-y+1/3,-z+1/3
pdbx struct oper list.type: crystal symmetry operation
pdbx struct oper list.vector1: 16.36
pdbx struct oper list.vector2: 9.4454504039
pdbx struct oper list.vector3: 8.48

http://rdf.wwpdb.org/pdb/6UF8/pdbx_struct_special_symmetry/1
type: pdbx struct special symmetry
of datablock: S2 symmetric peptide design number 6, London Bridge
pdbx struct special symmetry.id: 1
pdbx struct special symmetry.pdb model num: 1
pdbx struct special symmetry.auth asym id: A
pdbx struct special symmetry.auth comp id: HOH
pdbx struct special symmetry.auth seq id: 112
pdbx struct special symmetry.label asym id: B
pdbx struct special symmetry.label comp id: HOH

http://rdf.wwpdb.org/pdb/6UF8/pdbx_unobs_or_zero_occ_residues/1
type: pdbx unobs or zero occ residues
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: ALA
pdbx unobs or zero occ residues.id: 1
pdbx unobs or zero occ residues.pdb model num: 1
pdbx unobs or zero occ residues.auth asym id: A
pdbx unobs or zero occ residues.auth comp id: ALA
pdbx unobs or zero occ residues.auth seq id: 7
pdbx unobs or zero occ residues.label asym id: A
pdbx unobs or zero occ residues.label comp id: ALA
pdbx unobs or zero occ residues.label seq id: 7
pdbx unobs or zero occ residues.occupancy flag: 1
pdbx unobs or zero occ residues.polymer flag: Y

http://rdf.wwpdb.org/pdb/6UF8/pdbx_unobs_or_zero_occ_residues/2
type: pdbx unobs or zero occ residues
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: DSG
pdbx unobs or zero occ residues.id: 2
pdbx unobs or zero occ residues.pdb model num: 1
pdbx unobs or zero occ residues.auth asym id: A
pdbx unobs or zero occ residues.auth comp id: DSG
pdbx unobs or zero occ residues.auth seq id: 8
pdbx unobs or zero occ residues.label asym id: A
pdbx unobs or zero occ residues.label comp id: DSG
pdbx unobs or zero occ residues.label seq id: 8
pdbx unobs or zero occ residues.occupancy flag: 1
pdbx unobs or zero occ residues.polymer flag: Y

http://rdf.wwpdb.org/pdb/6UF8/pdbx_unobs_or_zero_occ_residues/3
type: pdbx unobs or zero occ residues
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: LYS
pdbx unobs or zero occ residues.id: 3
pdbx unobs or zero occ residues.pdb model num: 1
pdbx unobs or zero occ residues.auth asym id: A
pdbx unobs or zero occ residues.auth comp id: LYS
pdbx unobs or zero occ residues.auth seq id: 9
pdbx unobs or zero occ residues.label asym id: A
pdbx unobs or zero occ residues.label comp id: LYS
pdbx unobs or zero occ residues.label seq id: 9
pdbx unobs or zero occ residues.occupancy flag: 1
pdbx unobs or zero occ residues.polymer flag: Y

http://rdf.wwpdb.org/pdb/6UF8/pdbx_unobs_or_zero_occ_residues/4
type: pdbx unobs or zero occ residues
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: HIS
pdbx unobs or zero occ residues.id: 4
pdbx unobs or zero occ residues.pdb model num: 1
pdbx unobs or zero occ residues.auth asym id: A
pdbx unobs or zero occ residues.auth comp id: HIS
pdbx unobs or zero occ residues.auth seq id: 10
pdbx unobs or zero occ residues.label asym id: A
pdbx unobs or zero occ residues.label comp id: HIS
pdbx unobs or zero occ residues.label seq id: 10
pdbx unobs or zero occ residues.occupancy flag: 1
pdbx unobs or zero occ residues.polymer flag: Y

http://rdf.wwpdb.org/pdb/6UF8/pdbx_unobs_or_zero_occ_residues/5
type: pdbx unobs or zero occ residues
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: DPR
pdbx unobs or zero occ residues.id: 5
pdbx unobs or zero occ residues.pdb model num: 1
pdbx unobs or zero occ residues.auth asym id: A
pdbx unobs or zero occ residues.auth comp id: DPR
pdbx unobs or zero occ residues.auth seq id: 11
pdbx unobs or zero occ residues.label asym id: A
pdbx unobs or zero occ residues.label comp id: DPR
pdbx unobs or zero occ residues.label seq id: 11
pdbx unobs or zero occ residues.occupancy flag: 1
pdbx unobs or zero occ residues.polymer flag: Y

http://rdf.wwpdb.org/pdb/6UF8/pdbx_unobs_or_zero_occ_residues/6
type: pdbx unobs or zero occ residues
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to chem comp: GLU
pdbx unobs or zero occ residues.id: 6
pdbx unobs or zero occ residues.pdb model num: 1
pdbx unobs or zero occ residues.auth asym id: A
pdbx unobs or zero occ residues.auth comp id: GLU
pdbx unobs or zero occ residues.auth seq id: 12
pdbx unobs or zero occ residues.label asym id: A
pdbx unobs or zero occ residues.label comp id: GLU
pdbx unobs or zero occ residues.label seq id: 12
pdbx unobs or zero occ residues.occupancy flag: 1
pdbx unobs or zero occ residues.polymer flag: Y

6UF8,X-RAY DIFFRACTION
type: refine
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entry: 6UF8
refine.entry id: 6UF8
refine.pdbx refine id: X-RAY DIFFRACTION
refine.b iso mean: 15.27
refine.ls r factor r free: 0.1483
refine.ls r factor r work: 0.1458
refine.ls r factor obs: 0.146
refine.ls d res high: 0.8
refine.ls d res low: 16.36
refine.ls number reflns r free: 1019
refine.ls number reflns obs: 10290
refine.ls percent reflns r free: 9.9
refine.ls percent reflns obs: 96.01
refine.overall SU ML: 0.0591
refine.pdbx diffrn id: 1
refine.pdbx ls cross valid method: FREE R-VALUE
refine.pdbx ls sigma f: 1.37
refine.pdbx method to determine struct: AB INITIO PHASING
refine.pdbx overall phase error: 11.2647
refine.pdbx solvent shrinkage radii: 0.9
refine.pdbx solvent vdw probe radii: 1.11

LAST,X-RAY DIFFRACTION
type: refine hist
of datablock: S2 symmetric peptide design number 6, London Bridge
refine hist.cycle id: LAST
refine hist.pdbx refine id: X-RAY DIFFRACTION
refine hist.d res high: 0.8
refine hist.d res low: 16.36
refine hist.number atoms solvent: 12
refine hist.number atoms total: 60
refine hist.pdbx number atoms ligand: 0
refine hist.pdbx number atoms nucleic acid: 0
refine hist.pdbx number atoms protein: 48

X-RAY DIFFRACTION,f bond d
type: refine ls restr
of datablock: S2 symmetric peptide design number 6, London Bridge
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: f_bond_d
refine ls restr.dev ideal: 0.008
refine ls restr.number: 63

X-RAY DIFFRACTION,f angle d
type: refine ls restr
of datablock: S2 symmetric peptide design number 6, London Bridge
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: f_angle_d
refine ls restr.dev ideal: 1.4129
refine ls restr.number: 85

X-RAY DIFFRACTION,f chiral restr
type: refine ls restr
of datablock: S2 symmetric peptide design number 6, London Bridge
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: f_chiral_restr
refine ls restr.dev ideal: 0.067
refine ls restr.number: 8

X-RAY DIFFRACTION,f plane restr
type: refine ls restr
of datablock: S2 symmetric peptide design number 6, London Bridge
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: f_plane_restr
refine ls restr.dev ideal: 0.02
refine ls restr.number: 11

X-RAY DIFFRACTION,f dihedral angle d
type: refine ls restr
of datablock: S2 symmetric peptide design number 6, London Bridge
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: f_dihedral_angle_d
refine ls restr.dev ideal: 28.527
refine ls restr.number: 29

0.8,X-RAY DIFFRACTION
type: refine ls shell
of datablock: S2 symmetric peptide design number 6, London Bridge
refine ls shell.d res high: 0.8
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.3138
refine ls shell.r factor r work: 0.2833
refine ls shell.d res low: 0.84
refine ls shell.number reflns r free: 119
refine ls shell.number reflns r work: 1074
refine ls shell.percent reflns obs: 78.02

0.84,X-RAY DIFFRACTION
type: refine ls shell
of datablock: S2 symmetric peptide design number 6, London Bridge
refine ls shell.d res high: 0.84
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.1596
refine ls shell.r factor r work: 0.1592
refine ls shell.d res low: 0.9
refine ls shell.number reflns r free: 149
refine ls shell.number reflns r work: 1340
refine ls shell.percent reflns obs: 97.7

0.9,X-RAY DIFFRACTION
type: refine ls shell
of datablock: S2 symmetric peptide design number 6, London Bridge
refine ls shell.d res high: 0.9
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.1327
refine ls shell.r factor r work: 0.1313
refine ls shell.d res low: 0.96
refine ls shell.number reflns r free: 153
refine ls shell.number reflns r work: 1369
refine ls shell.percent reflns obs: 99.54

0.96,X-RAY DIFFRACTION
type: refine ls shell
of datablock: S2 symmetric peptide design number 6, London Bridge
refine ls shell.d res high: 0.96
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.0908
refine ls shell.r factor r work: 0.1062
refine ls shell.d res low: 1.06
refine ls shell.number reflns r free: 153
refine ls shell.number reflns r work: 1379
refine ls shell.percent reflns obs: 99.48

1.06,X-RAY DIFFRACTION
type: refine ls shell
of datablock: S2 symmetric peptide design number 6, London Bridge
refine ls shell.d res high: 1.06
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.0986
refine ls shell.r factor r work: 0.0951
refine ls shell.d res low: 1.21
refine ls shell.number reflns r free: 154
refine ls shell.number reflns r work: 1386
refine ls shell.percent reflns obs: 99.42

1.21,X-RAY DIFFRACTION
type: refine ls shell
of datablock: S2 symmetric peptide design number 6, London Bridge
refine ls shell.d res high: 1.21
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.1281
refine ls shell.r factor r work: 0.1121
refine ls shell.d res low: 1.53
refine ls shell.number reflns r free: 137
refine ls shell.number reflns r work: 1363
refine ls shell.percent reflns obs: 99.34

1.53,X-RAY DIFFRACTION
type: refine ls shell
of datablock: S2 symmetric peptide design number 6, London Bridge
refine ls shell.d res high: 1.53
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.1744
refine ls shell.r factor r work: 0.175
refine ls shell.d res low: 16.36
refine ls shell.number reflns r free: 154
refine ls shell.number reflns r work: 1360
refine ls shell.percent reflns obs: 98.5

http://rdf.wwpdb.org/pdb/6UF8/reflns/1
type: reflns
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entry: 6UF8
reflns.pdbx ordinal: 1
reflns.b iso wilson estimate: 9.919
reflns.d resolution high: 0.8
reflns.d resolution low: 18.93
reflns.entry id: 6UF8
reflns.number obs: 10306
reflns.pdbx CC half: 0.996
reflns.pdbx rmerge i obs: 0.056
reflns.pdbx rrim i all: 0.06
reflns.pdbx chi squared: 1.062
reflns.pdbx diffrn id: 1
reflns.pdbx net i over sigma i: 18.88
reflns.pdbx redundancy: 5.695
reflns.percent possible obs: 96.1

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/1
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 1
reflns shell.rmerge i obs: 0.28
reflns shell.d res high: 0.8
reflns shell.d res low: 0.82
reflns shell.mean i over sig i obs: 2.54
reflns shell.number unique obs: 474
reflns shell.pdbx CC half: 0.909
reflns shell.pdbx rrim i all: 0.364
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 2.211
reflns shell.percent possible all: 60.8

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/2
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 2
reflns shell.rmerge i obs: 0.211
reflns shell.d res high: 0.82
reflns shell.d res low: 0.84
reflns shell.mean i over sig i obs: 4
reflns shell.number unique obs: 763
reflns shell.pdbx CC half: 0.956
reflns shell.pdbx rrim i all: 0.257
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 3.058
reflns shell.percent possible all: 96.7

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/3
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 3
reflns shell.rmerge i obs: 0.147
reflns shell.d res high: 0.84
reflns shell.d res low: 0.87
reflns shell.mean i over sig i obs: 5.4
reflns shell.number unique obs: 727
reflns shell.pdbx CC half: 0.985
reflns shell.pdbx rrim i all: 0.176
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 3.298
reflns shell.percent possible all: 97.2

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/4
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 4
reflns shell.rmerge i obs: 0.098
reflns shell.d res high: 0.87
reflns shell.d res low: 0.89
reflns shell.mean i over sig i obs: 7.87
reflns shell.number unique obs: 718
reflns shell.pdbx CC half: 0.992
reflns shell.pdbx rrim i all: 0.116
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 3.493
reflns shell.percent possible all: 98.2

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/5
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 5
reflns shell.rmerge i obs: 0.088
reflns shell.d res high: 0.89
reflns shell.d res low: 0.92
reflns shell.mean i over sig i obs: 9.74
reflns shell.number unique obs: 701
reflns shell.pdbx CC half: 0.993
reflns shell.pdbx rrim i all: 0.102
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 4.051
reflns shell.percent possible all: 99.7

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/6
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 6
reflns shell.rmerge i obs: 0.074
reflns shell.d res high: 0.92
reflns shell.d res low: 0.96
reflns shell.mean i over sig i obs: 11.96
reflns shell.number unique obs: 662
reflns shell.pdbx CC half: 0.995
reflns shell.pdbx rrim i all: 0.084
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 4.34
reflns shell.percent possible all: 99.3

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/7
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 7
reflns shell.rmerge i obs: 0.068
reflns shell.d res high: 0.96
reflns shell.d res low: 0.99
reflns shell.mean i over sig i obs: 15.31
reflns shell.number unique obs: 690
reflns shell.pdbx CC half: 0.997
reflns shell.pdbx rrim i all: 0.075
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 5.296
reflns shell.percent possible all: 100

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/8
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 8
reflns shell.rmerge i obs: 0.06
reflns shell.d res high: 0.99
reflns shell.d res low: 1.03
reflns shell.mean i over sig i obs: 18.13
reflns shell.number unique obs: 620
reflns shell.pdbx CC half: 0.996
reflns shell.pdbx rrim i all: 0.067
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 5.477
reflns shell.percent possible all: 99.2

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/9
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 9
reflns shell.rmerge i obs: 0.056
reflns shell.d res high: 1.03
reflns shell.d res low: 1.08
reflns shell.mean i over sig i obs: 21.45
reflns shell.number unique obs: 617
reflns shell.pdbx CC half: 0.997
reflns shell.pdbx rrim i all: 0.062
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 5.713
reflns shell.percent possible all: 99.5

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/10
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 10
reflns shell.rmerge i obs: 0.054
reflns shell.d res high: 1.08
reflns shell.d res low: 1.13
reflns shell.mean i over sig i obs: 23.02
reflns shell.number unique obs: 568
reflns shell.pdbx CC half: 0.998
reflns shell.pdbx rrim i all: 0.059
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 6.04
reflns shell.percent possible all: 99.8

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/11
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 11
reflns shell.rmerge i obs: 0.05
reflns shell.d res high: 1.13
reflns shell.d res low: 1.19
reflns shell.mean i over sig i obs: 23.96
reflns shell.number unique obs: 538
reflns shell.pdbx CC half: 0.997
reflns shell.pdbx rrim i all: 0.055
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 6.019
reflns shell.percent possible all: 98.5

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/12
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 12
reflns shell.rmerge i obs: 0.05
reflns shell.d res high: 1.19
reflns shell.d res low: 1.27
reflns shell.mean i over sig i obs: 26.68
reflns shell.number unique obs: 529
reflns shell.pdbx CC half: 0.995
reflns shell.pdbx rrim i all: 0.055
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 6.991
reflns shell.percent possible all: 100

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/13
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 13
reflns shell.rmerge i obs: 0.048
reflns shell.d res high: 1.27
reflns shell.d res low: 1.35
reflns shell.mean i over sig i obs: 28.04
reflns shell.number unique obs: 501
reflns shell.pdbx CC half: 0.998
reflns shell.pdbx rrim i all: 0.052
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 7.395
reflns shell.percent possible all: 99.8

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/14
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 14
reflns shell.rmerge i obs: 0.046
reflns shell.d res high: 1.35
reflns shell.d res low: 1.46
reflns shell.mean i over sig i obs: 31.28
reflns shell.number unique obs: 444
reflns shell.pdbx CC half: 0.999
reflns shell.pdbx rrim i all: 0.049
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 8.599
reflns shell.percent possible all: 98

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/15
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 15
reflns shell.rmerge i obs: 0.047
reflns shell.d res high: 1.46
reflns shell.d res low: 1.6
reflns shell.mean i over sig i obs: 36.38
reflns shell.number unique obs: 433
reflns shell.pdbx CC half: 0.999
reflns shell.pdbx rrim i all: 0.049
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 10.155
reflns shell.percent possible all: 100

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/16
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 16
reflns shell.rmerge i obs: 0.051
reflns shell.d res high: 1.6
reflns shell.d res low: 1.79
reflns shell.mean i over sig i obs: 36.73
reflns shell.number unique obs: 370
reflns shell.pdbx CC half: 0.999
reflns shell.pdbx rrim i all: 0.053
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 9.859
reflns shell.percent possible all: 100

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/17
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 17
reflns shell.rmerge i obs: 0.051
reflns shell.d res high: 1.79
reflns shell.d res low: 2.07
reflns shell.mean i over sig i obs: 35.51
reflns shell.number unique obs: 339
reflns shell.pdbx CC half: 0.998
reflns shell.pdbx rrim i all: 0.054
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 9.012
reflns shell.percent possible all: 98.8

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/18
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 18
reflns shell.rmerge i obs: 0.058
reflns shell.d res high: 2.07
reflns shell.d res low: 2.53
reflns shell.mean i over sig i obs: 37.97
reflns shell.number unique obs: 285
reflns shell.pdbx CC half: 0.996
reflns shell.pdbx rrim i all: 0.062
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 9.596
reflns shell.percent possible all: 100

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/19
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 19
reflns shell.rmerge i obs: 0.062
reflns shell.d res high: 2.53
reflns shell.d res low: 3.58
reflns shell.mean i over sig i obs: 34.42
reflns shell.number unique obs: 214
reflns shell.pdbx CC half: 0.992
reflns shell.pdbx rrim i all: 0.068
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 7.958
reflns shell.percent possible all: 98.2

http://rdf.wwpdb.org/pdb/6UF8/reflns_shell/20
type: reflns shell
of datablock: S2 symmetric peptide design number 6, London Bridge
reflns shell.pdbx ordinal: 20
reflns shell.rmerge i obs: 0.067
reflns shell.d res high: 3.58
reflns shell.d res low: 18.93
reflns shell.mean i over sig i obs: 29.64
reflns shell.number unique obs: 113
reflns shell.pdbx CC half: 0.988
reflns shell.pdbx rrim i all: 0.076
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 6.062
reflns shell.percent possible all: 95

http://rdf.wwpdb.org/pdb/6UF8/software/1
type: software
of datablock: S2 symmetric peptide design number 6, London Bridge
software.pdbx ordinal: 1
software.classification: data reduction
software.name: XDS
software.version: 20170923

http://rdf.wwpdb.org/pdb/6UF8/software/2
type: software
of datablock: S2 symmetric peptide design number 6, London Bridge
software.pdbx ordinal: 2
software.classification: data scaling
software.name: XSCALE
software.version: 20170923

http://rdf.wwpdb.org/pdb/6UF8/software/3
type: software
of datablock: S2 symmetric peptide design number 6, London Bridge
software.pdbx ordinal: 3
software.classification: refinement
software.name: PHENIX
software.version: 1.16-3549

http://rdf.wwpdb.org/pdb/6UF8/software/4
type: software
of datablock: S2 symmetric peptide design number 6, London Bridge
software.pdbx ordinal: 4
software.classification: data extraction
software.name: PDB_EXTRACT
software.version: 3.25

http://rdf.wwpdb.org/pdb/6UF8/software/5
type: software
of datablock: S2 symmetric peptide design number 6, London Bridge
software.pdbx ordinal: 5
software.classification: phasing
software.name: SHELXD

http://rdf.wwpdb.org/pdb/6UF8/space_group/1
type: space group
of datablock: S2 symmetric peptide design number 6, London Bridge
space group.id: 1
space group.it number: 148
space group.crystal system: trigonal
space group.name H-M alt: R -3 :H
space group.name hall: -R 3

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/1
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 1
space group symop.operation xyz: x,y,z

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/2
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 2
space group symop.operation xyz: -y,x-y,z

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/3
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 3
space group symop.operation xyz: -x+y,-x,z

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/4
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 4
space group symop.operation xyz: -x,-y,-z

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/5
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 5
space group symop.operation xyz: y,-x+y,-z

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/6
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 6
space group symop.operation xyz: x-y,x,-z

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/7
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 7
space group symop.operation xyz: x+1/3,y+2/3,z+2/3

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/8
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 8
space group symop.operation xyz: -y+1/3,x-y+2/3,z+2/3

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/9
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 9
space group symop.operation xyz: -x+y+1/3,-x+2/3,z+2/3

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/10
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 10
space group symop.operation xyz: -x+1/3,-y+2/3,-z+2/3

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/11
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 11
space group symop.operation xyz: y+1/3,-x+y+2/3,-z+2/3

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/12
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 12
space group symop.operation xyz: x-y+1/3,x+2/3,-z+2/3

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/13
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 13
space group symop.operation xyz: x+2/3,y+1/3,z+1/3

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/14
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 14
space group symop.operation xyz: -y+2/3,x-y+1/3,z+1/3

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/15
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 15
space group symop.operation xyz: -x+y+2/3,-x+1/3,z+1/3

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/16
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 16
space group symop.operation xyz: -x+2/3,-y+1/3,-z+1/3

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/17
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 17
space group symop.operation xyz: y+2/3,-x+y+1/3,-z+1/3

http://rdf.wwpdb.org/pdb/6UF8/space_group_symop/18
type: space group symop
of datablock: S2 symmetric peptide design number 6, London Bridge
space group symop.id: 18
space group symop.operation xyz: x-y+2/3,x+1/3,-z+1/3

6UF8
type: struct
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entry: 6UF8
struct.entry id: 6UF8
struct.pdbx CASP flag: N
struct.pdbx descriptor: S2-6, London Bridge
struct.pdbx model details: S2 symmetric cyclic peptide
struct.title: S2 symmetric peptide design number 6, London Bridge

http://rdf.wwpdb.org/pdb/6UF8/struct_asym/B
type: struct asym
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity: http://rdf.wwpdb.org/pdb/6UF8/entity/2
struct asym.id: B
struct asym.entity id: 2
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

covale1
type: struct conn
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to struct conn type: covale
struct conn.id: covale1
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.336
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DAL
struct conn.ptnr1 auth seq id: 1
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DAL
struct conn.ptnr1 label seq id: 1
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: ASN
struct conn.ptnr2 auth seq id: 2
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: ASN
struct conn.ptnr2 label seq id: 2
struct conn.ptnr2 symmetry: 1_555

covale
referenced by struct conn: covale1
referenced by struct conn: covale2
referenced by struct conn: covale3
referenced by struct conn: covale4
referenced by struct conn: covale5
referenced by struct conn: covale6
type: struct conn type
of datablock: S2 symmetric peptide design number 6, London Bridge
struct conn type.id: covale

covale2
type: struct conn
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to struct conn type: covale
struct conn.id: covale2
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.339
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DAL
struct conn.ptnr1 auth seq id: 1
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: N
struct conn.ptnr1 label comp id: DAL
struct conn.ptnr1 label seq id: 1
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DGL
struct conn.ptnr2 auth seq id: 6
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: C
struct conn.ptnr2 label comp id: DGL
struct conn.ptnr2 label seq id: 6
struct conn.ptnr2 symmetry: 10_555

covale3
type: struct conn
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to struct conn type: covale
struct conn.id: covale3
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.331
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: ASN
struct conn.ptnr1 auth seq id: 2
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: ASN
struct conn.ptnr1 label seq id: 2
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DLY
struct conn.ptnr2 auth seq id: 3
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: DLY
struct conn.ptnr2 label seq id: 3
struct conn.ptnr2 symmetry: 1_555

covale4
type: struct conn
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to struct conn type: covale
struct conn.id: covale4
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.343
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DLY
struct conn.ptnr1 auth seq id: 3
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DLY
struct conn.ptnr1 label seq id: 3
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DHI
struct conn.ptnr2 auth seq id: 4
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: DHI
struct conn.ptnr2 label seq id: 4
struct conn.ptnr2 symmetry: 1_555

covale5
type: struct conn
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to struct conn type: covale
struct conn.id: covale5
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.346
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DHI
struct conn.ptnr1 auth seq id: 4
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DHI
struct conn.ptnr1 label seq id: 4
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: PRO
struct conn.ptnr2 auth seq id: 5
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: PRO
struct conn.ptnr2 label seq id: 5
struct conn.ptnr2 symmetry: 1_555

covale6
type: struct conn
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to struct conn type: covale
struct conn.id: covale6
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.341
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: PRO
struct conn.ptnr1 auth seq id: 5
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: PRO
struct conn.ptnr1 label seq id: 5
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DGL
struct conn.ptnr2 auth seq id: 6
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: DGL
struct conn.ptnr2 label seq id: 6
struct conn.ptnr2 symmetry: 1_555

6UF8
type: struct keywords
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entry: 6UF8
struct keywords.entry id: 6UF8
struct keywords.pdbx keywords: DE NOVO PROTEIN
struct keywords.text: cyclic peptide, centrosymmetric macrocycle, L- and D-amino acids, DE NOVO PROTEIN

http://rdf.wwpdb.org/pdb/6UF8/struct_ref/1
type: struct ref
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entity: http://rdf.wwpdb.org/pdb/6UF8/entity/1
struct ref.id: 1
struct ref.db code: 6UF8
struct ref.db name: PDB
struct ref.entity id: 1
struct ref.pdbx align begin: 1
struct ref.pdbx db accession: 6UF8
referenced by struct ref seq: http://rdf.wwpdb.org/pdb/6UF8/struct_ref_seq/1

http://rdf.wwpdb.org/pdb/6UF8/struct_ref_seq/1
type: struct ref seq
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to struct ref: http://rdf.wwpdb.org/pdb/6UF8/struct_ref/1
struct ref seq.align id: 1
struct ref seq.db align beg: 1
struct ref seq.db align end: 12
struct ref seq.pdbx PDB id code: 6UF8
struct ref seq.pdbx auth seq align beg: 1
struct ref seq.pdbx auth seq align end: 12
struct ref seq.pdbx db accession: 6UF8
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: 12

6UF8
type: symmetry
of datablock: S2 symmetric peptide design number 6, London Bridge
reference to entry: 6UF8
symmetry.entry id: 6UF8
symmetry.int tables number: 148
symmetry.space group name H-M: H -3
symmetry.space group name hall: -R 3