Trpzip2 structure in presence of exogenous haloprotectant molecule.
type: datablock
alternative label: 6H7I
link to mmcif: 6H7I.cif.gz
link to pdbml: 6H7I.xml.gz
link to pdbml noatom: 6H7I-noatom.xml.gz
link to pdbml extatom: 6H7I-extatom.xml.gz
link to doi: doi:10.2210/pdb6H7I/pdb
datablock name: 6H7I-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 chem comp category: chem compCategory
has citation category: citationCategory
has citation author category: citation authorCategory
has database 2 category: database 2Category
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 pdbx audit revision details category: pdbx audit revision detailsCategory
has pdbx audit revision history category: pdbx audit revision historyCategory
has pdbx database related category: pdbx database relatedCategory
has pdbx database status category: pdbx database statusCategory
has pdbx entity src syn category: pdbx entity src synCategory
has pdbx nmr ensemble category: pdbx nmr ensembleCategory
has pdbx nmr exptl category: pdbx nmr exptlCategory
has pdbx nmr exptl sample category: pdbx nmr exptl sampleCategory
has pdbx nmr exptl sample conditions category: pdbx nmr exptl sample conditionsCategory
has pdbx nmr refine category: pdbx nmr refineCategory
has pdbx nmr representative category: pdbx nmr representativeCategory
has pdbx nmr sample details category: pdbx nmr sample detailsCategory
has pdbx nmr software category: pdbx nmr softwareCategory
has pdbx nmr spectrometer category: pdbx nmr spectrometerCategory
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 assembly prop category: pdbx struct assembly propCategory
has pdbx struct oper list category: pdbx struct oper listCategory
has pdbx struct sheet hbond category: pdbx struct sheet hbondCategory
has pdbx validate close contact category: pdbx validate close contactCategory
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 struct sheet category: struct sheetCategory
has struct sheet order category: struct sheet orderCategory
has struct sheet range category: struct sheet rangeCategory

6H7I
type: atom sites
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entry: 6H7I
atom sites.entry id: 6H7I
atom sites.fract transf matrix11: 1
atom sites.fract transf matrix12: 0
atom sites.fract transf matrix13: 0
atom sites.fract transf matrix21: 0
atom sites.fract transf matrix22: 1
atom sites.fract transf matrix23: 0
atom sites.fract transf matrix31: 0
atom sites.fract transf matrix32: 0
atom sites.fract transf matrix33: 1
atom sites.fract transf vector1: 0
atom sites.fract transf vector2: 0
atom sites.fract transf vector3: 0

6H7I
referenced by atom sites: 6H7I
type: entry
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
entry.id: 6H7I
referenced by exptl: 6H7I,SOLUTION NMR
referenced by struct: 6H7I
referenced by struct keywords: 6H7I
referenced by pdbx database status: 6H7I
referenced by pdbx nmr ensemble: 6H7I
referenced by pdbx nmr representative: 6H7I
referenced by pdbx nmr refine: 6H7I,3

http://rdf.wwpdb.org/pdb/6H7I/atom_type/C
type: atom type
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
atom type.symbol: C

http://rdf.wwpdb.org/pdb/6H7I/atom_type/H
type: atom type
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
atom type.symbol: H

http://rdf.wwpdb.org/pdb/6H7I/atom_type/N
type: atom type
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
atom type.symbol: N

http://rdf.wwpdb.org/pdb/6H7I/atom_type/O
type: atom type
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
atom type.symbol: O

http://rdf.wwpdb.org/pdb/6H7I/audit_author/1
type: audit author
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
audit author.pdbx ordinal: 1
audit author.identifier ORCID: 0000-0002-6133-0607
audit author.name: Prior, S.H.

mmcif pdbx.dic,5.313
type: audit conform
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
audit conform.dict name: mmcif_pdbx.dic
audit conform.dict version: 5.313
audit conform.dict location: http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic

ASN
type: chem comp
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
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,6

GLU
type: chem comp
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
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,5

GLY
type: chem comp
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
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 entity poly seq: 1,GLY,7

LYS
type: chem comp
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
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,12
referenced by entity poly seq: 1,LYS,8

NH2
type: chem comp
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
chem comp.id: NH2
chem comp.formula: H2 N
chem comp.formula weight: 16.023
chem comp.name: AMINO GROUP
chem comp.type: non-polymer
link to chem comp: NH2
referenced by entity poly seq: 1,NH2,13

SER
type: chem comp
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
chem comp.id: SER
chem comp.formula: C3 H7 N O3
chem comp.formula weight: 105.093
chem comp.mon nstd flag: y
chem comp.name: SERINE
chem comp.type: L-peptide linking
link to chem comp: SER
referenced by entity poly seq: 1,SER,1

THR
type: chem comp
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
chem comp.id: THR
chem comp.formula: C4 H9 N O3
chem comp.formula weight: 119.119
chem comp.mon nstd flag: y
chem comp.name: THREONINE
chem comp.type: L-peptide linking
link to chem comp: THR
referenced by entity poly seq: 1,THR,10
referenced by entity poly seq: 1,THR,3

TRP
type: chem comp
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
chem comp.id: TRP
chem comp.formula: C11 H12 N2 O2
chem comp.formula weight: 204.225
chem comp.mon nstd flag: y
chem comp.name: TRYPTOPHAN
chem comp.type: L-peptide linking
link to chem comp: TRP
referenced by entity poly seq: 1,TRP,11
referenced by entity poly seq: 1,TRP,2
referenced by entity poly seq: 1,TRP,4
referenced by entity poly seq: 1,TRP,9

primary
type: citation
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
citation.id: primary
citation.journal abbrev: To Be Published
citation.journal id CSD: 0353
citation.title: Trpzip2 structure in presence of exogenous haloprotectant molecule.
referenced by citation author: primary,Scowen, I.J.,2
referenced by citation author: primary,Prior, S.H.,1

primary,Prior, S.H.,1
type: citation author
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to citation: primary
citation author.citation id: primary
citation author.name: Prior, S.H.
citation author.ordinal: 1
citation author.identifier ORCID: 0000-0002-6133-0607

primary,Scowen, I.J.,2
type: citation author
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to citation: primary
citation author.citation id: primary
citation author.name: Scowen, I.J.
citation author.ordinal: 2

6H7I,PDB
type: database 2
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
database 2.database code: 6H7I
database 2.database id: PDB

D 1200011191,WWPDB
type: database 2
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
database 2.database code: D_1200011191
database 2.database id: WWPDB

34305,BMRB
type: database 2
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
database 2.database code: 34305
database 2.database id: BMRB

http://rdf.wwpdb.org/pdb/6H7I/entity/1
type: entity
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
entity.id: 1
entity.details: Synthetic
entity.formula weight: 1608.776
entity.pdbx description: Trpzip2
entity.pdbx number of molecules: 1
entity.src method: syn
entity.type: polymer
referenced by entity poly: http://rdf.wwpdb.org/pdb/6H7I/entity_poly/1
referenced by struct asym: http://rdf.wwpdb.org/pdb/6H7I/struct_asym/A
referenced by struct ref: http://rdf.wwpdb.org/pdb/6H7I/struct_ref/1
referenced by pdbx entity src syn: 1,1

http://rdf.wwpdb.org/pdb/6H7I/entity_poly/1
type: entity poly
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity: http://rdf.wwpdb.org/pdb/6H7I/entity/1
entity poly.entity id: 1
entity poly.nstd linkage: no
entity poly.nstd monomer: yes
entity poly.pdbx seq one letter code: SWTWENGKWTWK(NH2)
entity poly.pdbx seq one letter code can: SWTWENGKWTWKX
entity poly.pdbx strand id: A
entity poly.type: polypeptide(L)
referenced by entity poly seq: 1,NH2,13
referenced by entity poly seq: 1,SER,1
referenced by entity poly seq: 1,TRP,2
referenced by entity poly seq: 1,THR,3
referenced by entity poly seq: 1,TRP,4
referenced by entity poly seq: 1,GLU,5
referenced by entity poly seq: 1,ASN,6
referenced by entity poly seq: 1,GLY,7
referenced by entity poly seq: 1,LYS,8
referenced by entity poly seq: 1,TRP,9
referenced by entity poly seq: 1,THR,10
referenced by entity poly seq: 1,TRP,11
referenced by entity poly seq: 1,LYS,12

1,SER,1
type: entity poly seq
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/6H7I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 1
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,1

1,TRP,2
type: entity poly seq
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to chem comp: TRP
reference to entity poly: http://rdf.wwpdb.org/pdb/6H7I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TRP
entity poly seq.num: 2
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TRP,2

1,THR,3
type: entity poly seq
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/6H7I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 3
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,3

1,TRP,4
type: entity poly seq
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to chem comp: TRP
reference to entity poly: http://rdf.wwpdb.org/pdb/6H7I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TRP
entity poly seq.num: 4
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TRP,4

1,GLU,5
type: entity poly seq
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to chem comp: GLU
reference to entity poly: http://rdf.wwpdb.org/pdb/6H7I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLU
entity poly seq.num: 5
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLU,5

1,ASN,6
type: entity poly seq
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to chem comp: ASN
reference to entity poly: http://rdf.wwpdb.org/pdb/6H7I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASN
entity poly seq.num: 6
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASN,6

1,GLY,7
type: entity poly seq
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/6H7I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 7
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,7

1,LYS,8
type: entity poly seq
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/6H7I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 8
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,8

1,TRP,9
type: entity poly seq
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to chem comp: TRP
reference to entity poly: http://rdf.wwpdb.org/pdb/6H7I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TRP
entity poly seq.num: 9
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TRP,9

1,THR,10
type: entity poly seq
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/6H7I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 10
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,10

1,TRP,11
type: entity poly seq
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to chem comp: TRP
reference to entity poly: http://rdf.wwpdb.org/pdb/6H7I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TRP
entity poly seq.num: 11
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TRP,11

1,LYS,12
type: entity poly seq
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/6H7I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 12
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,12

1,NH2,13
type: entity poly seq
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to chem comp: NH2
reference to entity poly: http://rdf.wwpdb.org/pdb/6H7I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: NH2
entity poly seq.num: 13
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,NH2,13

6H7I,SOLUTION NMR
type: exptl
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entry: 6H7I
exptl.entry id: 6H7I
exptl.method: SOLUTION NMR

Structure model,1,1
type: pdbx audit revision details
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
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: Trpzip2 structure in presence of exogenous haloprotectant molecule.
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: 2019-08-14

unspecified,1le1,PDB
type: pdbx database related
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx database related.content type: unspecified
pdbx database related.db id: 1le1
pdbx database related.db name: PDB
pdbx database related.details: Same peptide

unspecified,34305,BMRB
type: pdbx database related
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx database related.content type: unspecified
pdbx database related.db id: 34305
pdbx database related.db name: BMRB
pdbx database related.details: Trpzip2 structure in presence of exogenous haloprotectant molecule.
link to bmrb: bmr34305

6H7I
type: pdbx database status
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entry: 6H7I
pdbx database status.entry id: 6H7I
pdbx database status.sg entry: N
pdbx database status.deposit site: PDBE
pdbx database status.pdb format compatible: Y
pdbx database status.process site: PDBE
pdbx database status.recvd initial deposition date: 2018-07-31
pdbx database status.status code: REL
pdbx database status.status code cs: REL
pdbx database status.status code mr: REL

1,1
type: pdbx entity src syn
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity: http://rdf.wwpdb.org/pdb/6H7I/entity/1
pdbx entity src syn.entity id: 1
pdbx entity src syn.pdbx src id: 1
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: 13

6H7I
type: pdbx nmr ensemble
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entry: 6H7I
pdbx nmr ensemble.entry id: 6H7I
pdbx nmr ensemble.conformer selection criteria: all calculated structures submitted
pdbx nmr ensemble.conformers calculated total number: 20
pdbx nmr ensemble.conformers submitted total number: 20

1,1,1
type: pdbx nmr exptl
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 1
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.sample state: isotropic
pdbx nmr exptl.spectrometer id: 1
pdbx nmr exptl.type: 2D 1H-1H NOESY

Trpzip2,1
type: pdbx nmr exptl sample
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx nmr exptl sample.component: Trpzip2
pdbx nmr exptl sample.solution id: 1
pdbx nmr exptl sample.concentration: 3
pdbx nmr exptl sample.concentration units: mM
pdbx nmr exptl sample.isotopic labeling: natural abundance

potassium phosphate,1
type: pdbx nmr exptl sample
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx nmr exptl sample.component: potassium phosphate
pdbx nmr exptl sample.solution id: 1
pdbx nmr exptl sample.concentration: 50
pdbx nmr exptl sample.concentration units: mM
pdbx nmr exptl sample.isotopic labeling: natural abundance

http://rdf.wwpdb.org/pdb/6H7I/pdbx_nmr_exptl_sample_conditions/1
type: pdbx nmr exptl sample conditions
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx nmr exptl sample conditions.conditions id: 1
pdbx nmr exptl sample conditions.ionic strength: 50
pdbx nmr exptl sample conditions.ionic strength units: mM
pdbx nmr exptl sample conditions.label: Std
pdbx nmr exptl sample conditions.p h: 5.5
pdbx nmr exptl sample conditions.p h units: pH
pdbx nmr exptl sample conditions.pressure: 1
pdbx nmr exptl sample conditions.pressure units: atm
pdbx nmr exptl sample conditions.temperature: 300
pdbx nmr exptl sample conditions.temperature units: K

6H7I,3
type: pdbx nmr refine
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entry: 6H7I
pdbx nmr refine.entry id: 6H7I
pdbx nmr refine.software ordinal: 3
pdbx nmr refine.method: simulated annealing

6H7I
type: pdbx nmr representative
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entry: 6H7I
pdbx nmr representative.entry id: 6H7I
pdbx nmr representative.conformer id: 1
pdbx nmr representative.selection criteria: lowest energy

http://rdf.wwpdb.org/pdb/6H7I/pdbx_nmr_sample_details/1
type: pdbx nmr sample details
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx nmr sample details.solution id: 1
pdbx nmr sample details.contents: 3 mM Trpzip2, 50 mM potassium phosphate, 90% H2O/10% D2O
pdbx nmr sample details.details: 3 mM Trpzip2 50 mM potassium phosphate, pH 5.5
pdbx nmr sample details.label: Natural abundance
pdbx nmr sample details.solvent system: 90% H2O/10% D2O
pdbx nmr sample details.type: solution

http://rdf.wwpdb.org/pdb/6H7I/pdbx_nmr_software/1
type: pdbx nmr software
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx nmr software.ordinal: 1
pdbx nmr software.authors: Bruker Biospin
pdbx nmr software.classification: collection
pdbx nmr software.name: TopSpin

http://rdf.wwpdb.org/pdb/6H7I/pdbx_nmr_software/2
type: pdbx nmr software
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx nmr software.ordinal: 2
pdbx nmr software.authors: CCPN
pdbx nmr software.classification: data analysis
pdbx nmr software.name: CcpNmr Analysis

http://rdf.wwpdb.org/pdb/6H7I/pdbx_nmr_software/3
type: pdbx nmr software
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx nmr software.ordinal: 3
pdbx nmr software.authors: Brunger, Adams, Clore, Gros, Nilges and Read
pdbx nmr software.classification: structure calculation
pdbx nmr software.name: CNS

http://rdf.wwpdb.org/pdb/6H7I/pdbx_nmr_spectrometer/1
type: pdbx nmr spectrometer
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx nmr spectrometer.spectrometer id: 1
pdbx nmr spectrometer.field strength: 500
pdbx nmr spectrometer.manufacturer: Bruker
pdbx nmr spectrometer.model: AVANCE III

A,1,SER,1
type: pdbx poly seq scheme
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity poly seq: 1,SER,1
reference to struct asym: http://rdf.wwpdb.org/pdb/6H7I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: SER
pdbx poly seq scheme.seq id: 1
pdbx poly seq scheme.auth mon id: SER
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: SER
pdbx poly seq scheme.pdb seq num: 1
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/6H7I/struct_asym/A
referenced by pdbx poly seq scheme: A,1,SER,1
referenced by pdbx poly seq scheme: A,1,TRP,2
referenced by pdbx poly seq scheme: A,1,THR,3
referenced by pdbx poly seq scheme: A,1,TRP,4
referenced by pdbx poly seq scheme: A,1,GLU,5
referenced by pdbx poly seq scheme: A,1,ASN,6
referenced by pdbx poly seq scheme: A,1,GLY,7
referenced by pdbx poly seq scheme: A,1,LYS,8
referenced by pdbx poly seq scheme: A,1,TRP,9
referenced by pdbx poly seq scheme: A,1,THR,10
referenced by pdbx poly seq scheme: A,1,TRP,11
referenced by pdbx poly seq scheme: A,1,LYS,12
referenced by pdbx poly seq scheme: A,1,NH2,13
type: struct asym
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity: http://rdf.wwpdb.org/pdb/6H7I/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,TRP,2
type: pdbx poly seq scheme
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity poly seq: 1,TRP,2
reference to struct asym: http://rdf.wwpdb.org/pdb/6H7I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TRP
pdbx poly seq scheme.seq id: 2
pdbx poly seq scheme.auth mon id: TRP
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: TRP
pdbx poly seq scheme.pdb seq num: 2
pdbx poly seq scheme.pdb strand id: A

A,1,THR,3
type: pdbx poly seq scheme
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity poly seq: 1,THR,3
reference to struct asym: http://rdf.wwpdb.org/pdb/6H7I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THR
pdbx poly seq scheme.seq id: 3
pdbx poly seq scheme.auth mon id: THR
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: THR
pdbx poly seq scheme.pdb seq num: 3
pdbx poly seq scheme.pdb strand id: A

A,1,TRP,4
type: pdbx poly seq scheme
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity poly seq: 1,TRP,4
reference to struct asym: http://rdf.wwpdb.org/pdb/6H7I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TRP
pdbx poly seq scheme.seq id: 4
pdbx poly seq scheme.auth mon id: TRP
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: TRP
pdbx poly seq scheme.pdb seq num: 4
pdbx poly seq scheme.pdb strand id: A

A,1,GLU,5
type: pdbx poly seq scheme
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity poly seq: 1,GLU,5
reference to struct asym: http://rdf.wwpdb.org/pdb/6H7I/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: 5
pdbx poly seq scheme.auth mon id: GLU
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: GLU
pdbx poly seq scheme.pdb seq num: 5
pdbx poly seq scheme.pdb strand id: A

A,1,ASN,6
type: pdbx poly seq scheme
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity poly seq: 1,ASN,6
reference to struct asym: http://rdf.wwpdb.org/pdb/6H7I/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: 6
pdbx poly seq scheme.auth mon id: ASN
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: ASN
pdbx poly seq scheme.pdb seq num: 6
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,7
type: pdbx poly seq scheme
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity poly seq: 1,GLY,7
reference to struct asym: http://rdf.wwpdb.org/pdb/6H7I/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: 7
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 7
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 7
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 7
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,8
type: pdbx poly seq scheme
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity poly seq: 1,LYS,8
reference to struct asym: http://rdf.wwpdb.org/pdb/6H7I/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: 8
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 8
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 8
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 8
pdbx poly seq scheme.pdb strand id: A

A,1,TRP,9
type: pdbx poly seq scheme
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity poly seq: 1,TRP,9
reference to struct asym: http://rdf.wwpdb.org/pdb/6H7I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TRP
pdbx poly seq scheme.seq id: 9
pdbx poly seq scheme.auth mon id: TRP
pdbx poly seq scheme.auth seq num: 9
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 9
pdbx poly seq scheme.pdb mon id: TRP
pdbx poly seq scheme.pdb seq num: 9
pdbx poly seq scheme.pdb strand id: A

A,1,THR,10
type: pdbx poly seq scheme
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity poly seq: 1,THR,10
reference to struct asym: http://rdf.wwpdb.org/pdb/6H7I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THR
pdbx poly seq scheme.seq id: 10
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 10
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 10
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 10
pdbx poly seq scheme.pdb strand id: A

A,1,TRP,11
type: pdbx poly seq scheme
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity poly seq: 1,TRP,11
reference to struct asym: http://rdf.wwpdb.org/pdb/6H7I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TRP
pdbx poly seq scheme.seq id: 11
pdbx poly seq scheme.auth mon id: TRP
pdbx poly seq scheme.auth seq num: 11
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 11
pdbx poly seq scheme.pdb mon id: TRP
pdbx poly seq scheme.pdb seq num: 11
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,12
type: pdbx poly seq scheme
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity poly seq: 1,LYS,12
reference to struct asym: http://rdf.wwpdb.org/pdb/6H7I/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: 12
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 12
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 12
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 12
pdbx poly seq scheme.pdb strand id: A

A,1,NH2,13
type: pdbx poly seq scheme
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity poly seq: 1,NH2,13
reference to struct asym: http://rdf.wwpdb.org/pdb/6H7I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: NH2
pdbx poly seq scheme.seq id: 13
pdbx poly seq scheme.auth mon id: NH2
pdbx poly seq scheme.auth seq num: 13
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 13
pdbx poly seq scheme.pdb mon id: NH2
pdbx poly seq scheme.pdb seq num: 13
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/6H7I/pdbx_struct_assembly/1
type: pdbx struct assembly
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx struct assembly.id: 1
pdbx struct assembly.details: author_and_software_defined_assembly
pdbx struct assembly.method details: PISA
pdbx struct assembly.oligomeric count: 1
pdbx struct assembly.oligomeric details: monomeric
referenced by pdbx struct assembly gen: 1,A,1
referenced by pdbx struct assembly auth evidence: 1,1

1,1
type: pdbx struct assembly auth evidence
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/6H7I/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,1
type: pdbx struct assembly gen
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/6H7I/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A
pdbx struct assembly gen.oper expression: 1

1,ABSA (A^2)
type: pdbx struct assembly prop
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx struct assembly prop.biol id: 1
pdbx struct assembly prop.type: ABSA (A^2)
pdbx struct assembly prop.value: 110

1,MORE
type: pdbx struct assembly prop
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx struct assembly prop.biol id: 1
pdbx struct assembly prop.type: MORE
pdbx struct assembly prop.value: 0

1,SSA (A^2)
type: pdbx struct assembly prop
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx struct assembly prop.biol id: 1
pdbx struct assembly prop.type: SSA (A^2)
pdbx struct assembly prop.value: 1350

http://rdf.wwpdb.org/pdb/6H7I/pdbx_struct_oper_list/1
type: pdbx struct oper list
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
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.type: identity operation
pdbx struct oper list.vector1: 0
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 0

1,2,AA1
type: pdbx struct sheet hbond
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
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: GLU
pdbx struct sheet hbond.range 1 auth seq id: 5
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: GLU
pdbx struct sheet hbond.range 1 label seq id: 5
pdbx struct sheet hbond.range 2 auth asym id: A
pdbx struct sheet hbond.range 2 auth atom id: O
pdbx struct sheet hbond.range 2 auth comp id: LYS
pdbx struct sheet hbond.range 2 auth seq id: 8
pdbx struct sheet hbond.range 2 label asym id: A
pdbx struct sheet hbond.range 2 label atom id: O
pdbx struct sheet hbond.range 2 label comp id: LYS
pdbx struct sheet hbond.range 2 label seq id: 8

AA1
referenced by pdbx struct sheet hbond: 1,2,AA1
type: struct sheet
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
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

http://rdf.wwpdb.org/pdb/6H7I/pdbx_validate_close_contact/1
type: pdbx validate close contact
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx validate close contact.id: 1
pdbx validate close contact.pdb model num: 10
pdbx validate close contact.auth asym id 1: A
pdbx validate close contact.auth asym id 2: A
pdbx validate close contact.auth atom id 1: H
pdbx validate close contact.auth atom id 2: O
pdbx validate close contact.auth comp id 1: GLU
pdbx validate close contact.auth comp id 2: LYS
pdbx validate close contact.auth seq id 1: 5
pdbx validate close contact.auth seq id 2: 8
pdbx validate close contact.dist: 1.6

http://rdf.wwpdb.org/pdb/6H7I/pdbx_validate_close_contact/2
type: pdbx validate close contact
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx validate close contact.id: 2
pdbx validate close contact.pdb model num: 13
pdbx validate close contact.auth asym id 1: A
pdbx validate close contact.auth asym id 2: A
pdbx validate close contact.auth atom id 1: H
pdbx validate close contact.auth atom id 2: O
pdbx validate close contact.auth comp id 1: GLU
pdbx validate close contact.auth comp id 2: LYS
pdbx validate close contact.auth seq id 1: 5
pdbx validate close contact.auth seq id 2: 8
pdbx validate close contact.dist: 1.6

http://rdf.wwpdb.org/pdb/6H7I/pdbx_validate_close_contact/3
type: pdbx validate close contact
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
pdbx validate close contact.id: 3
pdbx validate close contact.pdb model num: 14
pdbx validate close contact.auth asym id 1: A
pdbx validate close contact.auth asym id 2: A
pdbx validate close contact.auth atom id 1: H
pdbx validate close contact.auth atom id 2: O
pdbx validate close contact.auth comp id 1: GLU
pdbx validate close contact.auth comp id 2: LYS
pdbx validate close contact.auth seq id 1: 5
pdbx validate close contact.auth seq id 2: 8
pdbx validate close contact.dist: 1.6

6H7I
type: struct
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entry: 6H7I
struct.entry id: 6H7I
struct.pdbx CASP flag: N
struct.pdbx descriptor: Trpzip2
struct.title: Trpzip2 structure in presence of exogenous haloprotectant molecule.

covale1
type: struct conn
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to struct conn type: covale
struct conn.id: covale1
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.329
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: LYS
struct conn.ptnr1 auth seq id: 12
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: LYS
struct conn.ptnr1 label seq id: 12
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: NH2
struct conn.ptnr2 auth seq id: 13
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: NH2
struct conn.ptnr2 label seq id: 13
struct conn.ptnr2 symmetry: 1_555

covale
referenced by struct conn: covale1
type: struct conn type
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
struct conn type.id: covale

6H7I
type: struct keywords
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entry: 6H7I
struct keywords.entry id: 6H7I
struct keywords.pdbx keywords: DE NOVO PROTEIN
struct keywords.text: Stabilisation, Halophilic, DE NOVO PROTEIN

http://rdf.wwpdb.org/pdb/6H7I/struct_ref/1
type: struct ref
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to entity: http://rdf.wwpdb.org/pdb/6H7I/entity/1
struct ref.id: 1
struct ref.db code: 6H7I
struct ref.db name: PDB
struct ref.entity id: 1
struct ref.pdbx align begin: 1
struct ref.pdbx db accession: 6H7I
referenced by struct ref seq: http://rdf.wwpdb.org/pdb/6H7I/struct_ref_seq/1

http://rdf.wwpdb.org/pdb/6H7I/struct_ref_seq/1
type: struct ref seq
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to struct ref: http://rdf.wwpdb.org/pdb/6H7I/struct_ref/1
struct ref seq.align id: 1
struct ref seq.db align beg: 1
struct ref seq.db align end: 13
struct ref seq.pdbx PDB id code: 6H7I
struct ref seq.pdbx auth seq align beg: 1
struct ref seq.pdbx auth seq align end: 13
struct ref seq.pdbx db accession: 6H7I
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: 13

1,2,AA1
type: struct sheet order
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
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: Trpzip2 structure in presence of exogenous haloprotectant molecule.
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: TRP
struct sheet range.beg auth seq id: 2
struct sheet range.beg label asym id: A
struct sheet range.beg label comp id: TRP
struct sheet range.beg label seq id: 2
struct sheet range.end auth asym id: A
struct sheet range.end auth comp id: GLU
struct sheet range.end auth seq id: 5
struct sheet range.end label asym id: A
struct sheet range.end label comp id: GLU
struct sheet range.end label seq id: 5

2,AA1
type: struct sheet range
of datablock: Trpzip2 structure in presence of exogenous haloprotectant molecule.
reference to struct sheet: AA1
struct sheet range.id: 2
struct sheet range.sheet id: AA1
struct sheet range.beg auth asym id: A
struct sheet range.beg auth comp id: LYS
struct sheet range.beg auth seq id: 8
struct sheet range.beg label asym id: A
struct sheet range.beg label comp id: LYS
struct sheet range.beg label seq id: 8
struct sheet range.end auth asym id: A
struct sheet range.end auth comp id: TRP
struct sheet range.end auth seq id: 11
struct sheet range.end label asym id: A
struct sheet range.end label comp id: TRP
struct sheet range.end label seq id: 11