Structure of PDB 3gw8 Chain A Binding Site BS01

Receptor Information
>3gw8 Chain A (length=230) Species: 28450 (Burkholderia pseudomallei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYKLVLIRHGESTWNKENRFTGWVDVDLTEQGNREARQAGQLLKEAGYTF
DIAYTSVLKRAIRTLWHVQDQMDLMYVPVVHSWRLNERHYGALSGLNKAE
TAAKYGDEQVLVWRRSYDTPPPALEPGDERAPYADPRYAKVPREQLPLTE
CLKDTVARVLPLWNESIAPAVKAGKQVLIAAHGNSLRALIKYLDGISDAD
IVGLNIPNGVPLVYELDESLTPIRHYYLGD
Ligand information
Ligand IDVO4
InChIInChI=1S/4O.V/q;3*-1;
InChIKeyLSGOVYNHVSXFFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-][V]([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-][V](=O)([O-])[O-]
FormulaO4 V
NameVANADATE ION
ChEMBL
DrugBank
ZINC
PDB chain3gw8 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gw8 An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		R8 H9 N15 R60 E87 H182 G183
Binding residue
(residue number reindexed from 1)		R8 H9 N15 R60 E87 H182 G183
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H9 R60 E87 H182
Catalytic site (residue number reindexed from 1) H9 R60 E87 H182
Enzyme Commision number 5.4.2.11: phosphoglycerate mutase (2,3-diphosphoglycerate-dependent).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004619 phosphoglycerate mutase activity
GO:0016853 isomerase activity
GO:0016868 intramolecular phosphotransferase activity
GO:0046538 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase activity
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3gw8, PDBe:3gw8, PDBj:3gw8
PDBsum3gw8
PubMed21904048
UniProtQ3JWH7|GPMA_BURP1 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase (Gene Name=gpmA)

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