Structure of PDB 4bgl Chain B Binding Site BS01

Receptor Information

>4bgl Chain B (length=124) Species: 2234 (Archaeoglobus fulgidus)

ELFQTADWKKEKHVPVIEVLRAEGGVVEVKVSVGKEIPHPNTTEHHIAWI
ELVFQPEGSKFPYVVGRAEFAAHGASVDGPNTSGVYTDPVAVFAFKAEKS
GKLTAFSYCNIHGLWMGEATLSLE

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 4bgl Chain B Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4bgl Superoxide Reductase from Giardia Intestinalis: Structural Characterization of the First Sor from a Eukaryotic Organism Shows an Iron Centre that is Highly Sensitive to Photoreduction
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): E12 H14 H40 H46 C110 H113
• Binding residue (residue number reindexed from 1): E11 H13 H39 H45 C109 H112
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): E12 K13 H14 H40 H46 C110 H113
• Catalytic site (residue number reindexed from 1): E11 K12 H13 H39 H45 C109 H112
• Enzyme Commision number: 1.15.1.2: superoxide reductase.

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0050605 superoxide reductase activity

Biological Process

• GO:0098869 cellular oxidant detoxification

External links

• PDB: RCSB:4bgl, PDBe:4bgl, PDBj:4bgl
• PDBsum: 4bgl
• PubMed: 26527141
• UniProt: O29903|SOR_ARCFU Putative superoxide reductase (Gene Name=AF_0344)