Structure of PDB 3hui Chain A Binding Site BS01

Receptor Information
>3hui Chain A (length=112) Species: 1076 (Rhodopseudomonas palustris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPRGSHMAKINFVDHTGETRTVEVEEGATVMEAAIRNAIPGVEAECGGAC
ACATCHVYVDEAWREKVGGPSPMEEDMLDFGYDVRPNSRLSCQIKVSNEL
DGLIVTTPERQR
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain3hui Chain A Residue 106 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hui Protein recognition in ferredoxin-P450 electron transfer in the class I CYP199A2 system from Rhodopseudomonas palustris
Resolution2.01 Å
Binding residue
(original residue number in PDB)		A37 C39 G41 C43 C45 C48 C85
Binding residue
(residue number reindexed from 1)		A44 C46 G48 C50 C52 C55 C92
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0140647 P450-containing electron transport chain
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3hui, PDBe:3hui, PDBj:3hui
PDBsum3hui
PubMed19904564
UniProtQ6N2U2

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