Structure of PDB 8cff Chain B Binding Site BS01

Receptor Information
>8cff Chain B (length=134) Species: 511 (Alcaligenes faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRTTLQYPATQVSVAKNLKANEPVSFTYPDTSSPCVAVKLGSPVPGGVGP
NNDIVAYSVLCTHMGCPTSYDKSSKTFKCPCHFTEFDAEKAGQMICGQAT
ENLPRVLLRYDEASDALTAVGVDGLIYGRQANVI
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8cff Chain B Residue 2302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8cff Arsenite oxidase in complex with antimonite and arsenite oxyanions: Insights into the catalytic mechanism.
Resolution1.57 Å
Binding residue
(original residue number in PDB)		C60 H62 M63 C78 H81 T83
Binding residue
(residue number reindexed from 1)		C61 H63 M64 C79 H82 T84
Annotation score1
Enzymatic activity
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

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8cff, PDBe:8cff, PDBj:8cff
PDBsum8cff
PubMed37442232
UniProtQ7SIF3|AIOB_ALCFA Arsenite oxidase subunit AioB (Gene Name=aioB)

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