Structure of PDB 3g3u Chain A Binding Site BS02

Receptor Information
>3g3u Chain A (length=286) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRQTTKYWVHPDNITELKLIILKHLPVLVFNTNKEFEREDSAITSIYFDN
ENLDLYYGRLRKDEGAEAHRLRWYGGMSTDTIFVERKTHREDWTGEKSVK
ARFALKERHVNDFLKGKYTVDQVFAKMRKEGKKPMNEIENLEALASEIQY
VMLKKKLRPVVRSFYNRTAFQLPGDARVRISLDTELTMVREDNFDGVDRT
HKNWRRTDIGVDWPFKQLDDKDICRFPYAVLEVKLQTQLGQEPPEWVREL
VGSHLVEPVPKFSKFIHGVATLLNDKVDSIPFWLPQ
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain3g3u Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3g3u Catalytic core of a membrane-associated eukaryotic polyphosphate polymerase.
Resolution2.07 Å
Binding residue
(original residue number in PDB)		K200 Y241 K281 S457 K458 F459
Binding residue
(residue number reindexed from 1)		K6 Y47 K87 S263 K264 F265
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.4.1: ATP-polyphosphate phosphotransferase.
External links
PDB RCSB:3g3u, PDBe:3g3u, PDBj:3g3u
PDBsum3g3u
PubMed19390046
UniProtP47075|VTC4_YEAST Vacuolar transporter chaperone complex subunit 4 (Gene Name=VTC4)

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