Structure of PDB 1dqi Chain A Binding Site BS01

Receptor Information
>1dqi Chain A (length=124) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MISETIRSGDWKGEKHVPVIEYEREGELVKVKVQVGKEIPHPNTTEHHIR
YIELYFLPEGENFVYQVGRVEFTAHGESVNGPNTSDVYTEPIAYFVLKTK
KKGKLYALSYCNIHGLWENEVTLE
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 chain1dqi Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1dqi Structures of the superoxide reductase from Pyrococcus furiosus in the oxidized and reduced states.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E14 H16 H41 H47 C111 H114
Binding residue
(residue number reindexed from 1)		E14 H16 H41 H47 C111 H114
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E14 K15 H16 H41 H47 C111 H114
Catalytic site (residue number reindexed from 1) E14 K15 H16 H41 H47 C111 H114
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:1dqi, PDBe:1dqi, PDBj:1dqi
PDBsum1dqi
PubMed10704199
UniProtP82385|SOR_PYRFU Superoxide reductase (Gene Name=sorA)

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