Structure of PDB 3rk1 Chain A Binding Site BS02

Receptor Information
>3rk1 Chain A (length=221) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADVAVLYSGGKDSNYALYWAIKNRFSVKFLVTMVSENEESYMYHTINANL
TDLQARALGIPLVKGFTQGEKEKEVEDLKRVLSGLKIQGIVAGALASKYQ
RKRIEKVAKELGLEVYTPDAKEYMRELLNLGFKIMVVGVSAYGLDESWLG
RILDESALEELITLNEKYKVHVAGEGGEFETFVLDMPLFKYKIVVDKAKK
VWEPCTSSGKLIIEEAHLESK
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3rk1 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3rk1 A large conformational change in the putative ATP pyrophosphatase PF0828 induced by ATP binding.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		A128 H179 V180 E183
Binding residue
(residue number reindexed from 1)		A120 H171 V172 E175
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0017178 diphthine-ammonia ligase activity
Biological Process
GO:0017183 protein histidyl modification to diphthamide

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3rk1, PDBe:3rk1, PDBj:3rk1
PDBsum3rk1
PubMed22102225
UniProtQ8U2K6

[Back to BioLiP]