Structure of PDB 3kyu Chain A Binding Site BS01

Receptor Information
>3kyu Chain A (length=54) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAKWVCKICGYIYDEDAGDPDNGISPGTKFEELPDDWVCPICGAPKSEFE
KLED
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 chain3kyu Chain A Residue 54 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kyu Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		C5 C8 C38 C41
Binding residue
(residue number reindexed from 1)		C6 C9 C39 C42
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0046872 metal ion binding
Biological Process
GO:0043448 alkane catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3kyu, PDBe:3kyu, PDBj:3kyu
PDBsum3kyu
PubMed20445231
UniProtP24297|RUBR_PYRFU Rubredoxin (Gene Name=rub)

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