Structure of PDB 8bqs Chain CC Binding Site BS01

Receptor Information

>8bqs Chain CC (length=59) Species: 312017 (Tetrahymena thermophila SB210)

MRTKLYNAAYFLLNNNESFGHSFGIRLKIVGLNTWIVGYAVSRYYFSSLR
VKAAQDERF

Ligand information

• Ligand ID: UQ8
• InChI: InChI=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+
• InChIKey: ICFIZJQGJAJRSU-SGHXUWJISA-N
• 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)C
  OpenEye OEToolkits 1.5.0: CC1=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 3.341: 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)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)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)\CCC=C(C)C
• Formula: C49 H74 O4
• Name: Ubiquinone-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
• ZINC: ZINC000058633050
• PDB chain: 8bqs Chain CC Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8bqs Structural basis of mitochondrial membrane bending by I-II-III2-IV2 supercomplex
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): F19 S22 F23 R26
• Binding residue (residue number reindexed from 1): F19 S22 F23 R26
• Annotation score: 4

External links

• PDB: RCSB:8bqs, PDBe:8bqs, PDBj:8bqs
• PDBsum: 8bqs
• UniProt: Q23RH8