Structure of PDB 8bhx Chain B Binding Site BS01

Receptor Information
>8bhx Chain B (length=203) Species: 2021 (Thermobifida fusca) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAPYTLPELPYDYSALEPWISGEIMELHHDKHHAAYVKGANDALEQLAEA
REKGDLSKVNLLQKNLAFNLAGHVNHTVFWPNLSPDGGDKPEGELGAAID
DAFGSFDAFRAHFSAAATGIQGSGWAILAWDILGQRLIIEQLYDHQGNLA
AGSYPLLMLDMWEHAFYLQYKNVKADYVKAFWNVVNWADVAKRFEDARKV
ALG
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 chain8bhx Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bhx Initial characterization of an iron superoxide dismutase from Thermobifida fusca.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		H29 H77 D161 H165
Binding residue
(residue number reindexed from 1)		H28 H76 D160 H164
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:8bhx, PDBe:8bhx, PDBj:8bhx
PDBsum8bhx
PubMed37725277
UniProtQ47RC2

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