Structure of PDB 3gp5 Chain B Binding Site BS01

Receptor Information

>3gp5 Chain B (length=229) Species: 28450 (Burkholderia pseudomallei)

MYKLVLIRHGESTWNKENRFTGWVDVDLTEQGNREARQAGQLLKEAGYTF
DIAYTSVLKRAIRTLWHVQDQMDLMYVPVVHSWRLNERHYGALSGLNKAE
TAAKYGDEQVLVWRRSYDTPPPALEPGDERAPYADPRYAKVPREQLPLTE
CLKDTVARVLPLWNESIAPAVKAGKQVLIAAHGNSLRALIKYLDGISDAD
IVGLNIPNGVPLVYELDESLTPIRHYYLG

Ligand information

• Ligand ID: VO4
• InChI: InChI=1S/4O.V/q;3*-1;
• InChIKey: LSGOVYNHVSXFFJ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341: [O-][V]([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-][V](=O)([O-])[O-]
• Formula: O4 V
• Name: VANADATE ION
• PDB chain: 3gp5 Chain B Residue 252

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3gp5 An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
• Resolution: 2.25 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 score: 1

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

External links

• PDB: RCSB:3gp5, PDBe:3gp5, PDBj:3gp5
• PDBsum: 3gp5
• PubMed: 21904048
• UniProt: Q3JWH7|GPMA_BURP1 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase (Gene Name=gpmA)