Structure of PDB 3tgu Chain R Binding Site BS01

Receptor Information
>3tgu Chain R (length=196) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VHNDVTVPDFSAYRREDVMDATTSSQTSSEDRKGFSYLVTATACVATAYA
AKNVVTQFISSLSASADVLALSKIEIKLSDIPEGKNVAFKWRGKPLFVRH
RTQAEINQEAEVDVSKLRDPQHDLDRVKKPEWVILVGVCTHLGCVPIANS
GDFGGYYCPCHGSHYDASGRIRKGPAPYNLEVPTYQFVGDDLVVVG
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 chain3tgu Chain R Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tgu Computational discovery of picomolar Q(o) site inhibitors of cytochrome bc1 complex.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C139 H141 L142 C144 C158 C160 H161 S163
Binding residue
(residue number reindexed from 1)		C139 H141 L142 C144 C158 C160 H161 S163
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H161
Catalytic site (residue number reindexed from 1) H161
Enzyme Commision number 7.1.1.8: quinol--cytochrome-c reductase.
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
GO:0051537 2 iron, 2 sulfur cluster binding
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3tgu, PDBe:3tgu, PDBj:3tgu
PDBsum3tgu
PubMed22690928
UniProtQ5ZLR5|UCRI_CHICK Cytochrome b-c1 complex subunit Rieske, mitochondrial (Gene Name=UQCRFS1)

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