Structure of PDB 1kf6 Chain D Binding Site BS01

Receptor Information
>1kf6 Chain D (length=119) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MINPNPKRSDEPVFWGLFGAGGMWSAIIAPVMILLVGILLPLGLFPGDAL
SYERVLAFAQSFIGRVFLFLMIVLPLWCGLHRMHHAMHDLKIHVPAGKWV
FYGLAAILTVVTLIGVVTI
Ligand information
Ligand IDHQO
InChIInChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,18H,2-6,9H2,1H3
InChIKeyNZPACTGCRWDXCJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCc1cc(O)c2ccccc2[n+]1[O-]
OpenEye OEToolkits 1.5.0CCCCCCCc1cc(c2ccccc2[n+]1[O-])O
ACDLabs 10.04[O-][n+]2c1ccccc1c(O)cc2CCCCCCC
FormulaC16 H21 N O2
Name2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE;
2-HEPTYL-1-OXY-QUINOLIN-4-OL
ChEMBLCHEMBL1233401
DrugBankDB07918
ZINCZINC000001529909
PDB chain1kf6 Chain C Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kf6 Crystallographic studies of the Escherichia coli quinol-fumarate reductase with inhibitors bound to the quinol-binding site.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		W14 F17
Binding residue
(residue number reindexed from 1)		W15 F18
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.70,Ki=0.2uM
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:1kf6, PDBe:1kf6, PDBj:1kf6
PDBsum1kf6
PubMed11850430
UniProtP0A8Q3|FRDD_ECOLI Fumarate reductase subunit D (Gene Name=frdD)

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