Structure of PDB 8gym Chain QH Binding Site BS01
Receptor Information
>8gym Chain QH (length=129) Species:
312017
(Tetrahymena thermophila SB210) [
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MNVTGAGLTHVKDFHSDEMRVFRGGLRHIADKQGNLIYGSVNSSVRYYHD
KMSYERGFIQHSRSPSNQFINFHFMLGGFRTYVLERFFKQVWYRRNIRTF
WFPVLISYTSGCITMRMYDNNCYDYFYFS
Ligand information
Ligand ID
U10
InChI
InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
InChIKey
ACTIUHUUMQJHFO-UPTCCGCDSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
CACTVS 3.341
COC1=C(OC)C(=O)C(=C(C)C1=O)C\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)CC\C=C(/C)CCC=C(C)C
ACDLabs 10.04
O=C1C(=C(C(=O)C(OC)=C1OC)C)C\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)CC\C=C(/C)CC\C=C(/C)C
CACTVS 3.341
COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
OpenEye OEToolkits 1.5.0
CC1=C(C(=O)C(=C(C1=O)OC)OC)C\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)\CC\C=C(/C)\CCC=C(C)C
Formula
C59 H90 O4
Name
UBIQUINONE-10;
Coenzyme Q10
ChEMBL
CHEMBL454801
DrugBank
DB09270
ZINC
ZINC000085427689
PDB chain
8gym Chain QC Residue 506 [
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Receptor-Ligand Complex Structure
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PDB
8gym
Structures of Tetrahymena thermophila respiratory megacomplexes on the tubular mitochondrial cristae.
Resolution
2.96 Å
Binding residue
(original residue number in PDB)
S107 S110
Binding residue
(residue number reindexed from 1)
S107 S110
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:8gym
,
PDBe:8gym
,
PDBj:8gym
PDBsum
8gym
PubMed
37248254
UniProt
I7M484
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