Structure of PDB 3rk1 Chain B Binding Site BS02

Receptor Information
>3rk1 Chain B (length=223) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LADVAVLYSGGKDSNYALYWAIKNRFSVKFLVTMVSENEESYMYHTINAN
LTDLQARALGIPLVKGFTQGEKEKEVEDLKRVLSGLKIQGIVAGALASKY
QRKRIEKVAKELGLEVYTPDAKEYMRELLNLGFKIMVVGVSAYGLDESWL
GRILDESALEELITLNEKYKVHVAGEGGEFETFVLDMPLFKYKIVVDKAK
KVWEPCTSSGKLIIEEAHLESKL
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 B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		H48 T49 I50 E188
Binding residue
(residue number reindexed from 1)		H45 T46 I47 E181
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

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

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