Structure of PDB 4kx6 Chain D Binding Site BS01

Receptor Information
>4kx6 Chain D (length=119) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MINPNPKRSDEPVFWGLFGAGGMWSAIIAPVMILLVGILLPLGLFPGDAL
SYERVLAFAQSFIGRVFLFLMIVLPLWCGLHRMHHAMHDLKIHVPAGKWV
FYGLAAILTVVTLIGVVTI
Ligand information
Ligand IDMQ7
InChIInChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+
InChIKeyRAKQPZMEYJZGPI-LJWNYQGCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
CACTVS 3.341CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
ACDLabs 10.04O=C2c1c(cccc1)C(=O)C(=C2C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C
CACTVS 3.341CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
FormulaC46 H64 O2
NameMENAQUINONE-7
ChEMBLCHEMBL1230575
DrugBankDB13075
ZINCZINC000058638423
PDB chain4kx6 Chain D Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kx6 Plasticity of the Quinone-binding Site of the Complex II Homolog Quinol:Fumarate Reductase.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		E10 W14 F17 G18 H80 H84
Binding residue
(residue number reindexed from 1)		E11 W15 F18 G19 H81 H85
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000104 succinate dehydrogenase activity
Biological Process
GO:0006106 fumarate metabolic process
GO:0006113 fermentation
GO:0009061 anaerobic respiration
GO:0019645 anaerobic electron transport chain
GO:0044780 bacterial-type flagellum assembly
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0045283 fumarate reductase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4kx6, PDBe:4kx6, PDBj:4kx6
PDBsum4kx6
PubMed23836905
UniProtP0A8Q3|FRDD_ECOLI Fumarate reductase subunit D (Gene Name=frdD)

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