Structure of PDB 8avl Chain F Binding Site BS01

Receptor Information
>8avl Chain F (length=192) Species: 295405 (Bacteroides fragilis YCH46) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYEMPKLPYANNALEPVISQQTIDYHYGKHLQTYVNNLNSLVPGTEYEGK
TVEAIVASAPDGAIFNNAGQVLNHTLYFLQFAPKPAKNEPAGKLGEAIKR
DFGSFENFKKEFNAASVGLFGSGWAWLSVDKDGKLHITKEPNGSNPVRAG
LKPLLGFDVWEHAYYLDYQNRRADHVNKLWEIIDWDVVEKRL
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 chain8avl Chain F Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8avl An ancient metalloenzyme evolves through metal preference modulation.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H26 H74 D158 H162
Binding residue
(residue number reindexed from 1)		H26 H74 D158 H162
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:8avl, PDBe:8avl, PDBj:8avl
PDBsum8avl
PubMed37037909
UniProtP53638|SODF_BACFR Superoxide dismutase [Fe] (Gene Name=sodB)

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