Structure of PDB 4bff Chain E Binding Site BS01

Receptor Information
>4bff Chain E (length=123) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELFQTADWKKEKHVPVIEVLRAEGGVVEVKVSVGKEIPHPNTTEHHIAWI
ELVFQPEGSKFPYVVGRAEFAAHGASVDGPNTSGVYTDPVAVFAFKAEKS
GKLTAFSYCNIHGLWMGEATLSL
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain4bff Chain E Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bff Purification, Crystallization and X-Ray Crystallographic Analysis of Archaeoglobus Fulgidus Neelaredoxin.
Resolution2.0 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) E12 K13 H14 H40 H46 C110 H113
Catalytic site (residue number reindexed from 1) E11 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:4bff, PDBe:4bff, PDBj:4bff
PDBsum4bff
PubMed
UniProtO29903|SOR_ARCFU Putative superoxide reductase (Gene Name=AF_0344)

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