Structure of PDB 3tgu Chain E Binding Site BS01

Receptor Information

>3tgu Chain E (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

InChI=1S/2Fe.2S

NIXDOXVAJZFRNF-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	[Fe]1S[Fe]S1
CACTVS 3.341 OpenEye OEToolkits 1.5.0	S1[Fe]S[Fe]1

Formula

Fe2 S2

Name

FE2/S2 (INORGANIC) CLUSTER

ChEMBL

DrugBank

ZINC

PDB chain

3tgu Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3tgu Computational discovery of picomolar Q(o) site inhibitors of cytochrome bc1 complex.
Resolution	2.7 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 score	1

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:3tgu, PDBe:3tgu, PDBj:3tgu
PDBsum	3tgu
PubMed	22690928
UniProt	Q5ZLR5\|UCRI_CHICK Cytochrome b-c1 complex subunit Rieske, mitochondrial (Gene Name=UQCRFS1)

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