Structure of PDB 3a39 Chain A Binding Site BS01

Receptor Information
>3a39 Chain A (length=83) Species: 1050 (Thermochromatium tepidum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAPANAVTADDPTAIALKYNQDATKSERVAAARPGLPPEEQHCANCQFMQ
ANVGEGDWKGCQLFPGKLINVNGWCASWTLKAG
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain3a39 Chain A Residue 84 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a39 Detailed assessment of X-ray induced structural perturbation in a crystalline state protein.
Resolution0.72 Å
Binding residue
(original residue number in PDB)		Y19 C43 C46 F48 M49 C61 C75 W78
Binding residue
(residue number reindexed from 1)		Y19 C43 C46 F48 M49 C61 C75 W78
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0019646 aerobic electron transport chain

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3a39, PDBe:3a39, PDBj:3a39
PDBsum3a39
PubMed19782139
UniProtP80176|HIP_THETI High-potential iron-sulfur protein (Gene Name=hip)

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