Structure of PDB 6ynx Chain i Binding Site BS01

Receptor Information
>6ynx Chain i (length=209) Species: 5911 (Tetrahymena thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNPIQKAWLKILEPVSYVINEKMAKRTGIIGKLGRFFAIGPREYGVHPIN
RMFIFMNRKYMAFQAVALHRYSFVKSLTHNGFHMLRVFRHFAFVLPATVL
AGLGLFVYWGDDNKCYSPDRFPYLKKRAGDMALPLNSLNQRTSAHYIEIN
AIYGAEMMKRYHKVWENIIEERSKATDQEKKTRYAHPSYQYSPLPVVSIP
NVLNPLNLQ
Ligand information
Ligand IDUQ8
InChIInChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+
InChIKeyICFIZJQGJAJRSU-SGHXUWJISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=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)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=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
CACTVS 3.341COC1=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)C
ACDLabs 10.04O=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)C
CACTVS 3.341COC1=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)\CCC=C(C)C
FormulaC49 H74 O4
NameUbiquinone-8;
2,3-dimethoxy-5-methyl-6-[(6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-oc taen-1-yl]cyclohexa-2,5-diene-1,4-dione
ChEMBL
DrugBank
ZINCZINC000058633050
PDB chain6ynx Chain i Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6ynx Type III ATP synthase is a symmetry-deviated dimer that induces membrane curvature through tetramerization.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N57 Y60 M61 Q64 F106
Binding residue
(residue number reindexed from 1)		N57 Y60 M61 Q64 F106
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6ynx, PDBe:6ynx, PDBj:6ynx
PDBsum6ynx
PubMed33093501
UniProtI7LZW2

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