Structure of PDB 3g3u Chain B Binding Site BS01

Receptor Information
>3g3u Chain B (length=285) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFVRQTTKYWVHPDNITELKLIILKHLPVLVFNTNFEREDSAITSIYFDN
ENLDLYYGRLRKDEGAEAHRLRWYGGMSTDTIFVERKTHREDWTGEKSVK
ARFALKERHVNDFLKGKYTVDQVFAKMRKEGKKPMNEIENLEALASEIQY
VMLKKKLRPVVRSFYNRTAFQLPGDARVRISLDTELTMVREDNFDGVDRT
HKNWRRTDIGVDWPFKQLDDKDICRFPYAVLEVKLQTQLGQEPPEWVREL
VGSHLVEPVPKFSKFIHGVATLLNDKVDSIPFWLP
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 B Residue 1000 [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)		R264 R266 Y359 R361
Binding residue
(residue number reindexed from 1)		R70 R72 Y165 R167
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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