Structure of PDB 8avm Chain A Binding Site BS01

Receptor Information
>8avm Chain A (length=192) Species: 817 (Bacteroides fragilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYEMPKLPYANNALEPVISQQTIDYHYGKHLQTYVNNLNSLVPGTEYEGK
TVEAIVASAPDGAIFNNAGQVLNHTLYFLQFAPKPAKNEPAGKLGEAIKR
DFGSFENFKKEFNAASVGLFGSGWAWLSVDKDGKLHITKEPNGSNPVRAG
LKPLLTCDVWEHAYYLDYQNRRADHVNKLWEIIDWDVVEKRL
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 chain8avm Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8avm An ancient metalloenzyme evolves through metal preference modulation.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H26 H74 W124 D158 H162
Binding residue
(residue number reindexed from 1)		H26 H74 W124 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:8avm, PDBe:8avm, PDBj:8avm
PDBsum8avm
PubMed37037909
UniProtP53638|SODF_BACFR Superoxide dismutase [Fe] (Gene Name=sodB)

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