Structure of PDB 2ji3 Chain A Binding Site BS01
Receptor Information
>2ji3 Chain A (length=126) Species:
453230
(Desulfarculus baarsii) [
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MPERLQVYKCEVCGNIVEVLNGGIGELVCCNQDMKLMSENTVDAAKEKHV
PVIEKIDGGYKVKVGAVAHPMEEKHYIQWIELLADDKCYTQFLKPGQAPE
AVFLIEAAKVVARAYCNIHGHWKAEN
Ligand information
Ligand ID
FE
InChI
InChI=1S/Fe/q+3
InChIKey
VTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[Fe+3]
Formula
Fe
Name
FE (III) ION
ChEMBL
DrugBank
DB13949
ZINC
PDB chain
2ji3 Chain A Residue 1127 [
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Receptor-Ligand Complex Structure
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PDB
2ji3
Raman-assisted crystallography reveals end-on peroxide intermediates in a nonheme iron enzyme.
Resolution
1.95 Å
Binding residue
(original residue number in PDB)
C10 C13 C29 C30
Binding residue
(residue number reindexed from 1)
C10 C13 C29 C30
Annotation score
5
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
PDBsum
2ji3
PubMed
17446401
UniProt
Q46495
|DFX_DESB2 Desulfoferrodoxin (Gene Name=dfx)
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