Structure of PDB 5gpj Chain D Binding Site BS01

Receptor Information
>5gpj Chain D (length=728) Species: 3916 (Vigna radiata var. radiata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AILPDLGTEILIPVCAVIGIAFALFQWLLVSKVKLINDHNVVVKCAEIQN
AISEGATSFLFTEYKYVGIFMVAFAILIFLFLGSVEGFSTSPQACSYDKT
KTCKPALATAIFSTVSFLLGGVTSLVSGFLGMKIATYANARTTLEARKGV
GKAFITAFRSGAVMGFLLAANGLLVLYIAINLFKIYYGDDWGGLFEAITG
YGLGGSSMALFGRVGGGIYTKAADVGADLVGDDPRNPAVIADNVGDNVGD
IAGMGSDLFGSYAESSCAALVVASISSFGLNHELTAMLYPLIVSSVGILV
CLLTTLFATDFFEIAVKEIEPALKKQLVISTVLMTIGVAVVSFVALPTSF
TIFNFGVQKDVKSWQLFLCVAVGLWAGLIIGFVTEYYTSNAYSPVQDVAD
SCRTGAATNVIFGLALGYKSVIIPIFAIAISIFVSFTFAAMYGIAVAALG
MLSTIATGLAIDAYGPISDNAGGIAEMAGMSHRIRERTDALDAAGNTTAA
IGKGFAIGSAALVSLALFGAFVSRASITTVDVLTPKVFIGLIVGAMLPYW
FSAMTMKSVGSAALKMVEEVRRQFNTIPGLMEGTAKPDYATCVKISTDAS
IKEMIPPGALVMLTPLVVGILFGVETLSGVLAGSLVSGVQIAISASNTGG
AWDNAKKYIEAGASEHARSLGPKGSDCHKAAVIGDTIGDPLKDTSGPSLN
ILIKLMAVESLVFAPFFATHGGLLFKIF
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 chain5gpj Chain D 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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PDB5gpj Membrane pyrophosphatases from Thermotoga maritima and Vigna radiata suggest a conserved coupling mechanism
Resolution3.5 Å
Binding residue
(original residue number in PDB)		K250 D253 D507 D691 K730
Binding residue
(residue number reindexed from 1)		K221 D224 D469 D653 K692
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.3.1: H(+)-exporting diphosphatase.
Gene Ontology
Molecular Function
GO:0004427 inorganic diphosphate phosphatase activity
GO:0009678 diphosphate hydrolysis-driven proton transmembrane transporter activity
GO:0046872 metal ion binding
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005773 vacuole
GO:0005774 vacuolar membrane
GO:0016020 membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5gpj, PDBe:5gpj, PDBj:5gpj
PDBsum5gpj
PubMed27922000
UniProtP21616|AVP_VIGRR Pyrophosphate-energized vacuolar membrane proton pump

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