Structure of PDB 2vqa Chain A Binding Site BS01

Receptor Information

>2vqa Chain A (length=356) Species: 1148 (Synechocystis sp. PCC 6803)

WRSLSNVVWGKDLPAFTYAFSKTPLVLYDGGTTKQVGTYNFPVSKGMAGV
YMSLEPGAIRELHWHANAAEWAYVMEGRTRITLTSPEGKVEIADVDKGGL
WYFPRGWGHSIEGIGPDTAKFLLVFNDGTFSEGATFSVTDWLSHTPIAWV
EENLGWTAAQVAQLPKKQVYISSYGPASGPLASATPQGQTAKIEVPHTHN
LLGQQPLVSLGGNELRLASAKEFPGSFNMTGALIHLEPGAMRQLHWHPNA
DEWQYVLDGEMDLTVFASEGKASVSRLQQGDVGYVPKGYGHAIRNSSQKP
LDIVVVFNDGDYQSIDLSTWLASNPSSVLGNTFQISPELTKKLPVQDTIF
SLPTQP

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 2vqa Chain A Residue 1005

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2vqa Protein-Folding Location Can Regulate Manganese-Binding Versus Copper- or Zinc-Binding.
• Resolution: 2.95 Å
• Binding residue (original residue number in PDB): H101 H103 E108 H147
• Binding residue (residue number reindexed from 1): H63 H65 E70 H109
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): R98 H101 H103 E108 H147 E170
• Catalytic site (residue number reindexed from 1): R60 H63 H65 E70 H109 E132

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

Biological Process

• GO:0033609 oxalate metabolic process

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space

External links

• PDB: RCSB:2vqa, PDBe:2vqa, PDBj:2vqa
• PDBsum: 2vqa
• PubMed: 18948958
• UniProt: P73510