Structure of PDB 4u3f Chain R Binding Site BS01

Receptor Information
>4u3f 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 chain4u3f 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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PDB4u3f Rational Design of Highly Potent and Slow-Binding Cytochrome bc1 Inhibitor as Fungicide by Computational Substitution Optimization
Resolution3.2312 Å
Binding residue
(original residue number in PDB)		C139 H141 L142 C144 C158 H161 S163
Binding residue
(residue number reindexed from 1)		C139 H141 L142 C144 C158 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

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Molecular Function
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Cellular Component
External links
PDB RCSB:4u3f, PDBe:4u3f, PDBj:4u3f
PDBsum4u3f
PubMed
UniProtQ5ZLR5|UCRI_CHICK Cytochrome b-c1 complex subunit Rieske, mitochondrial (Gene Name=UQCRFS1)

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