Structure of PDB 4bk8 Chain A Binding Site BS01

Receptor Information
>4bk8 Chain A (length=123) Species: 160233 (Ignicoccus hospitalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSFGELIYTPDRAEGEAISKAETHTPKIEAPEKVKADQPFQVRVSVGPHP
NEAAHSIRWIELYFYEEGRPFNPVMLGRVAFEPGYAEPDVTFTLKLKKSG
VLYAISYCNLHGLWEARKEIKVE
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 chain4bk8 Chain A Residue 1125 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bk8 Cloning, Purification, Crystallization and X-Ray Crystallographic Analysis of Ignicoccus Hospitalis Neelaredoxin.
Resolution1.847 Å
Binding residue
(original residue number in PDB)		E23 H25 H50 H56 C109 H112
Binding residue
(residue number reindexed from 1)		E22 H24 H49 H55 C108 H111
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E23 T24 H25 H50 H56 C109 H112
Catalytic site (residue number reindexed from 1) E22 T23 H24 H49 H55 C108 H111
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:4bk8, PDBe:4bk8, PDBj:4bk8
PDBsum4bk8
PubMed
UniProtA8AC72

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