Structure of PDB 2ji3 Chain C Binding Site BS02

Receptor Information
>2ji3 Chain C (length=126) Species: 453230 (Desulfarculus baarsii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPERLQVYKCEVCGNIVEVLNGGIGELVCCNQDMKLMSENTVDAAKEKHV
PVIEKIDGGYKVKVGAVAHPMEEKHYIQWIELLADDKCYTQFLKPGQAPE
AVFLIEAAKVVARAYCNIHGHWKAEN
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 chain2ji3 Chain C Residue 1128 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ji3 Raman-assisted crystallography reveals end-on peroxide intermediates in a nonheme iron enzyme.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		H49 H69 H75 C116 H119
Binding residue
(residue number reindexed from 1)		H49 H69 H75 C116 H119
Annotation score5
Enzymatic activity
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:0009636 response to toxic substance
GO:0019430 removal of superoxide radicals

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Molecular Function
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Biological Process
External links
PDB RCSB:2ji3, PDBe:2ji3, PDBj:2ji3
PDBsum2ji3
PubMed17446401
UniProtQ46495|DFX_DESB2 Desulfoferrodoxin (Gene Name=dfx)

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