Structure of PDB 1h2f Chain A Binding Site BS01

Receptor Information

>1h2f Chain A (length=207) Species: 1422 (Geobacillus stearothermophilus)

ATTLYLTRHGETKWNVERRMQGWQDSPLTEKGRQDAMRLGKRLEAVELAA
IYTSTSGRALETAEIVRGGRLIPIYQDERLREIHLGDWEGKTHDEIRQMD
PIAFDHFWQAPHLYAPQRGERFCDVQQRALEAVQSIVDRHEGETVLIVTH
GVVLKTLMAAFKDTPLDHLWSPPYMYGTSVTIIEVDGGTFHVAVEGDVSH
IEEVKEV

Ligand information

• Ligand ID: VA3
• InChI: InChI=1S/H2O.7O.3V/h1H2;;;;;;;;;;/q;;;;;;;-1;;;+1/p-1
• InChIKey: YEAGUQJQPBKCCU-UHFFFAOYSA-M
• SMILES:
  CACTVS 3.385: O.[O-].O=[V](=O)O[V]O[V](=O)=O
  OpenEye OEToolkits 2.0.7: [O-]=[V]([O])(O[V](=O)=O)O[V](=O)=O
• Formula: O8 V3
• Name: TRIVANADATE
• DrugBank: DB04219
• PDB chain: 1h2f Chain A Residue 1209

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1h2f Structures of Phosphate and Trivanadate Complexes of Bacillus Stearothermophilus Phosphatase Phoe: Structural and Functional Analysis in the Cofactor-Dependent Phosphoglycerate Mutase Superfamily
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): R9 H10 N16 Q22 R59 E83 H151 G152 V153
• Binding residue (residue number reindexed from 1): R8 H9 N15 Q21 R58 E82 H150 G151 V152
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R9 H10 N16 R59 E83 H151
• Catalytic site (residue number reindexed from 1): R8 H9 N15 R58 E82 H150

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016791 phosphatase activity

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1h2f, PDBe:1h2f, PDBj:1h2f
• PDBsum: 1h2f
• PubMed: 12498792
• UniProt: Q9ALU0