Structure of PDB 1sqv Chain C Binding Site BS03

Receptor Information
>1sqv 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 IDUHD
InChIInChI=1S/C18H25NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-15(20)14-18(23-12-19-14)17(22)16(13)21/h12,21H,2-11H2,1H3
InChIKeyQCWGBMWYLYKEIU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C2c1scnc1C(=O)C(=C2O)CCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCC1=C(O)C(=O)c2scnc2C1=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O
FormulaC18 H25 N O3 S
Name6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE;
3-UNDECYL-2-HYDROXYDIOXOBENZOTHIAZOL;
UHDBT
ChEMBL
DrugBankDB04799
ZINCZINC000014881301
PDB chain1sqv Chain C Residue 383 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1sqv Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		L121 A125 W141 G142 V145 I146 I268 K269 P270 F274 Y278
Binding residue
(residue number reindexed from 1)		L120 A124 W140 G141 V144 I145 I267 K268 P269 F273 Y277
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 1.10.2.2: Transferred entry: 7.1.1.8.
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1sqv, PDBe:1sqv, PDBj:1sqv
PDBsum1sqv
PubMed15312779
UniProtP00157|CYB_BOVIN Cytochrome b (Gene Name=MT-CYB)

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