Structure of PDB 7sss Chain F Binding Site BS01

Receptor Information
>7sss Chain F (length=173) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRAAVDRIIRVDHAGEYGANRIYAGQMAVLGRTSVGPVIQKMWDQEKDHL
KKFNELMVTFRVRPTVLMPLWNVLGFALGAGTALLGKEGAMACTVAVEES
IAHHYNNQIRTLMEEDPEKYEELLQLIKKFRDEELEHHDIGLDHDAELAP
AYAVLKSIIQAGCRVAIYLSERL
Ligand information
Ligand ID8PP
InChIInChI=1S/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+
InChIKeyVUNQJPPPTJIREN-CMAXTTDKSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)=CCC/C(C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/Cc1ccccc1O
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCc1ccccc1O)C)C)C)C)C)C)C)C
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCC/C(=C/CC/C(=C/CCC(=CCC/C(=C/CCC(=CCCC(=CCc1ccccc1O)C)C)/C)C)/C)/C)C)C
CACTVS 3.341CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1ccccc1O
ACDLabs 10.04Oc1ccccc1C/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)CC/C=C(/C)C
FormulaC46 H70 O
Name2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
ChEMBL
DrugBankDB03232
ZINCZINC000004096912
PDB chain7sss Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7sss Structure and functionality of a multimeric human COQ7:COQ9 complex.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G62 W115 L118 L122 G206 C207 A210
Binding residue
(residue number reindexed from 1)		G18 W71 L74 L78 G162 C163 A166
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.99.60: 3-demethoxyubiquinol 3-hydroxylase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005515 protein binding
GO:0008682 3-demethoxyubiquinol 3-hydroxylase activity
GO:0016709 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen
GO:0046872 metal ion binding
Biological Process
GO:0006744 ubiquinone biosynthetic process
GO:0008340 determination of adult lifespan
GO:0010468 regulation of gene expression
GO:2000377 regulation of reactive oxygen species metabolic process
Cellular Component
GO:0005634 nucleus
GO:0005694 chromosome
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0031314 extrinsic component of mitochondrial inner membrane
GO:0110142 ubiquinone biosynthesis complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7sss, PDBe:7sss, PDBj:7sss
PDBsum7sss
PubMed36306796
UniProtQ99807|COQ7_HUMAN 5-demethoxyubiquinone hydroxylase, mitochondrial (Gene Name=COQ7)

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