Structure of PDB 4k9f Chain A Binding Site BS01

Receptor Information
>4k9f Chain A (length=53) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAKWVCKICGYIYDEDAGDPDNGISPGTKFEELPDDWVCPICGAPKSEFE
KLE
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 chain4k9f Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4k9f The IMAGINE instrument: first neutron protein structure and new capabilities for neutron macromolecular crystallography.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		C5 C8 Y10 C38 C41
Binding residue
(residue number reindexed from 1)		C6 C9 Y11 C39 C42
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0046872 metal ion binding
Biological Process
GO:0043448 alkane catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4k9f, PDBe:4k9f, PDBj:4k9f
PDBsum4k9f
PubMed24100333
UniProtP24297|RUBR_PYRFU Rubredoxin (Gene Name=rub)

[Back to BioLiP]