Structure of PDB 6zfs Chain C Binding Site BS03

Receptor Information
>6zfs Chain C (length=378) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNIRKSHPLMKIVNNAFIDLPAPSNISSWWNFGSLLGICLILQILTGLFL
AMHYTSDTTTAFSSVTHICRDVNYGWIIRYMHANGASMFFICLYMHVGRG
LYYGSYTFLETWNIGVILLLTVMATAFMGYVLPWGQMSFWGATVITNLLS
AIPYIGTNLVEWIWGGFSVDKATLTRFFAFHFILPFIIMAIAMVHLLFLH
ETGSNNPTGISSDVDKIPFHPYYTIKDILGALLLILALMLLVLFAPDLLG
DPDNYTPANPLNTPPHIKPEWYFLFAYAILRSIPNKLGGVLALAFSILIL
ALIPLLHTSKQRSMMFRPLSQCLFWALVADLLTLTWIGGQPVEHPYITIG
QLASVLYFLLILVLMPTAGTIENKLLKW
Ligand information
Ligand IDJGW
InChIInChI=1S/C24H18F3NO2/c1-15-22(23(29)20-4-2-3-5-21(20)28-15)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)30-24(25,26)27/h2-13,22H,14H2,1H3/t22-/m0/s1
InChIKeyGICIDYUDUAQJFR-QFIPXVFZSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC1=Nc2ccccc2C(=O)[CH]1c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
CACTVS 3.385CC1=Nc2ccccc2C(=O)[C@@H]1c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
OpenEye OEToolkits 2.0.7CC1=Nc2ccccc2C(=O)C1c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F
FormulaC24 H18 F3 N O2
Name2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one
ChEMBL
DrugBank
ZINC
PDB chain6zfs Chain C Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6zfs Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials
Resolution3.5 Å
Binding residue
(original residue number in PDB)		F18 S35 G38 H201 S205 F220 D228
Binding residue
(residue number reindexed from 1)		F17 S34 G37 H200 S204 F219 D227
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H201 S205 K227 D228 E271
Catalytic site (residue number reindexed from 1) H200 S204 K226 D227 E270
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0048039 ubiquinone binding
Biological Process
GO:0006122 mitochondrial electron transport, ubiquinol to cytochrome c
GO:0022904 respiratory electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane
GO:0031966 mitochondrial membrane
GO:0045275 respiratory chain complex III

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6zfs, PDBe:6zfs, PDBj:6zfs
PDBsum6zfs
PubMed
UniProtP00157|CYB_BOVIN Cytochrome b (Gene Name=MT-CYB)

[Back to BioLiP]