Structure of PDB 4d6t Chain P Binding Site BS03

Receptor Information
>4d6t Chain P (length=370) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LMKIVNNAFIDLPAPSNISSWWNFGSLLGICLILQILTGLFLAMHYTSDT
TTAFSSVTHICRDVNYGWIIRYMHANGASMFFICLYMHVGRGLYYGSYTF
LETWNIGVILLLTVMATAFMGYVLPWGQMSFWGATVITNLLSAIPYIGTN
LVEWIWGGFSVDKATLTRFFAFHFILPFIIMAIAMVHLLFLHETGSNNPT
GISSDVDKIPFHPYYTIKDILGALLLILALMLLVLFAPDLLGDPDNYTPA
NPLNTPPHIKPEWYFLFAYAILRSIPNKLGGVLALAFSILILALIPLLHT
SKQRSMMFRPLSQCLFWALVADLLTLTWIGGQPVEHPYITIGQLASVLYF
LLILVLMPTAGTIENKLLKW
Ligand information
Ligand ID4X9
InChIInChI=1S/C20H15ClF3NO3/c1-11-17(19(26)18(21)12(2)25-11)13-3-5-14(6-4-13)27-15-7-9-16(10-8-15)28-20(22,23)24/h3-10H,1-2H3,(H,25,26)
InChIKeyBZRPOJGQEWLGMP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(c(c(c(n1)C)Cl)O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F
CACTVS 3.385Cc1nc(C)c(c(O)c1Cl)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2
ACDLabs 12.01Clc1c(O)c(c(nc1C)C)c3ccc(Oc2ccc(OC(F)(F)F)cc2)cc3
FormulaC20 H15 Cl F3 N O3
Name3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol
ChEMBLCHEMBL467584
DrugBank
ZINC
PDB chain4d6t Chain P Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4d6t Antimalarial 4(1H)-Pyridones Bind to the Qi Site of Cytochrome Bc1.
Resolution3.57 Å
Binding residue
(original residue number in PDB)		F18 G38 M190 H201 S205 F220 D228
Binding residue
(residue number reindexed from 1)		F9 G29 M181 H192 S196 F211 D219
Annotation score1
Enzymatic activity
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:4d6t, PDBe:4d6t, PDBj:4d6t
PDBsum4d6t
PubMed25564664
UniProtP00157|CYB_BOVIN Cytochrome b (Gene Name=MT-CYB)

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