Structure of PDB 4brv Chain A Binding Site BS01

Receptor Information
>4brv Chain A (length=124) Species: 160233 (Ignicoccus hospitalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKSFGELIYTPDRAEGEAISKAATHTPKIEAPEKVKADQPFQVRVSVGPH
PNEAAHSIRWIELYFYEEGRPFNPVMLGRVAFEPGYAEPDVTFTLKLKKS
GVLYAISYCNLHGLWEARKEIKVE
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 chain4brv 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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PDB4brv Structure of a Natural Sor Mutant
Resolution2.05 Å
Binding residue
(original residue number in PDB)		H25 H50 H56 C109 H112
Binding residue
(residue number reindexed from 1)		H25 H50 H56 C109 H112
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A23 T24 H25 H50 H56 C109 H112
Catalytic site (residue number reindexed from 1) A23 T24 H25 H50 H56 C109 H112
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4brv, PDBe:4brv, PDBj:4brv
PDBsum4brv
PubMed
UniProtA8AC72

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