Structure of PDB 1g8j Chain D Binding Site BS01

Receptor Information

>1g8j Chain D (length=129) Species: 511 (Alcaligenes faecalis)

AYPATAVSVAKNLAANEPSSFTYPDTSSPCVAVKLGAPVPGGVGPDDDIV
AYSVLCTHMGCPTSYDSSSKTFSCPCHFTEFDAEKAGQMICGEATADLPR
VLLRYDAASDALTAVGVDGLIYGRQANVI

Ligand information

• Ligand ID: FES
• InChI: InChI=1S/2Fe.2S
• InChIKey: NIXDOXVAJZFRNF-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: [Fe]1S[Fe]S1
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: S1[Fe]S[Fe]1
• Formula: Fe2 S2
• Name: FE2/S2 (INORGANIC) CLUSTER
• PDB chain: 1g8j Chain D Residue 3006

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1g8j Crystal structure of the 100 kDa arsenite oxidase from Alcaligenes faecalis in two crystal forms at 1.64 A and 2.03 A.
• Resolution: 2.03 Å
• Binding residue (original residue number in PDB): C60 H62 M63 C65 C78 H81 T83
• Binding residue (residue number reindexed from 1): C56 H58 M59 C61 C74 H77 T79
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H62 H81
• Catalytic site (residue number reindexed from 1): H58 H77
• Enzyme Commision number: 1.20.9.1: arsenate reductase (azurin).

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0050611 arsenate reductase (azurin) activity
• GO:0051537 2 iron, 2 sulfur cluster binding

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane

External links

• PDB: RCSB:1g8j, PDBe:1g8j, PDBj:1g8j
• PDBsum: 1g8j
• PubMed: 11250197
• UniProt: Q7SIF3|AIOB_ALCFA Arsenite oxidase subunit AioB (Gene Name=aioB)