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BioLiP

Structure of PDB 2ji3 Chain B Binding Site BS01

Receptor Information
>2ji3 Chain B (length=125) Species: 453230 (Desulfarculus baarsii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PERLQVYKCEVCGNIVEVLNGGIGELVCCNQDMKLMSENTVDAAKEKHVP
VIEKIDGGYKVKVGAVAHPMEEKHYIQWIELLADDKCYTQFLKPGQAPEA
VFLIEAAKVVARAYCNIHGHWKAEN
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 B Residue 1127 [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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PDB2ji3 Raman-assisted crystallography reveals end-on peroxide intermediates in a nonheme iron enzyme.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		C10 C13 C29 C30
Binding residue
(residue number reindexed from 1)		C9 C12 C28 C29
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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