Structure of PDB 2pya Chain A Binding Site BS01

Receptor Information
>2pya Chain A (length=52) Species: 29292 (Pyrococcus abyssi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKLSCKICGYIYDEDEGDPDNGISPGTKFEDLPDDWVCPLCGSPKSEFER
IE
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 chain2pya 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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PDB2pya Ultrahigh-resolution study on Pyrococcus abyssi rubredoxin: II. Introduction of an O-H...Sgamma-Fe hydrogen bond increased the reduction potential by 65 mV.
Resolution0.86 Å
Binding residue
(original residue number in PDB)		C6 C9 C39 C42
Binding residue
(residue number reindexed from 1)		C5 C8 C38 C41
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:2pya, PDBe:2pya, PDBj:2pya
PDBsum2pya
PubMed17712580
UniProtQ9V099|RUBR_PYRAB Rubredoxin (Gene Name=rub)

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