Structure of PDB 4bfj Chain B Binding Site BS01

Receptor Information
>4bfj Chain B (length=124) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELFQTADWKKVKHVPVIEVLRAEGGVVEVKVSVGKEIPHPNTTEHHIAWI
ELVFQPEGSKFPYVVGRAEFAAHGASVDGPNTSGVYTDPVAVFAFKAEKS
GKLTAFSYCNIHGLWMGEATLSLE
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4bfj Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bfj Understanding the Role of Key Residues in the Superoxide Reductase Molecular Mechanism, Exploring Archaeoglobus Fulgidus Sor Structure
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H14 H40 H46 C110 H113
Binding residue
(residue number reindexed from 1)		H13 H39 H45 C109 H112
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) V12 K13 H14 H40 H46 C110 H113
Catalytic site (residue number reindexed from 1) V11 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

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Molecular Function
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Biological Process
External links
PDB RCSB:4bfj, PDBe:4bfj, PDBj:4bfj
PDBsum4bfj
PubMed
UniProtO29903|SOR_ARCFU Putative superoxide reductase (Gene Name=AF_0344)

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