Structure of PDB 1coj Chain A Binding Site BS01

Receptor Information
>1coj Chain A (length=211) Species: 2714 (Aquifex pyrophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VHKLEPKDHLKPQNLEGISNEQIEPHFEAHYKGYVAKYNEIQEKLADQNF
ADRSKANQNYSEYRELKVEETFNYMGVVLHELYFGMLTPGGKGEPSEALK
KKIEEDIGGLDACTNELKAAAMAFRGWAILGLDIFSGRLVVNGLDAHNVY
NLTGLIPLIVIDTYEHAYYVDYKNKRPPYIDAFFKNINWDVVNERFEKAM
KAYEALKDFIK
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 chain1coj Chain A Residue 213 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1coj The crystal structure of an Fe-superoxide dismutase from the hyperthermophile Aquifex pyrophilus at 1.9 A resolution: structural basis for thermostability.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H27 H81 D163 H167
Binding residue
(residue number reindexed from 1)		H26 H80 D162 H166
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process
GO:0019430 removal of superoxide radicals

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Molecular Function
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Biological Process
External links
PDB RCSB:1coj, PDBe:1coj, PDBj:1coj
PDBsum1coj
PubMed9236127
UniProtQ9X6W9|SODF_AQUPY Superoxide dismutase [Fe] (Gene Name=sodB)

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