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TitleComputational discovery of picomolar Q(o) site inhibitors of cytochrome bc1 complex.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 134, Page 11168-11176, Year 2012
Publish dateAug 17, 2011 (structure data deposition date)
AuthorsHao, G.F. / Wang, F. / Li, H. / Zhu, X.L. / Yang, W.C. / Huang, L.S. / Wu, J.W. / Berry, E.A. / Yang, G.F.
External linksJ. Am. Chem. Soc. / PubMed:22690928
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-3tgu:
Cytochrome bc1 complex from chicken with pfvs-designed moa inhibitor bound
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals


ChemComp, No image

ChemComp-UNL:
Unknown ligand

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-WF3:
methyl (2E)-3-methoxy-2-[2-({[6-methyl-3-(trifluoromethyl)quinoxalin-2-yl]oxy}methyl)phenyl]prop-2-enoate

ChemComp-UQ:
Coenzyme Q10, (2Z,6E,10Z,14E,18E,22E,26Z)-isomer

ChemComp-CDL:
CARDIOLIPIN / phospholipid*YM

ChemComp-PEE:
1,2-dioleoyl-sn-glycero-3-phosphoethanolamine / DOPE, phospholipid*YM

ChemComp-GOL:
GLYCEROL

ChemComp-HEC:
HEME C

ChemComp-BOG:
octyl beta-D-glucopyranoside / detergent*YM

ChemComp-FES:
FE2/S2 (INORGANIC) CLUSTER

ChemComp-HOH:
WATER

Source
  • gallus gallus (chicken)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / CYTOCHROME BC1 / MEMBRANE PROTEIN / HEME PROTEIN / RIESKE IRON SULFUR PROTEIN / CYTOCHROME B / CYTOCHROME C1 / COMPLEX III / MITOCHONDRIAL PROCESSING PROTEIN / UBIQUINONE / OXIDOREDUCTASE / REDOX ENZYME / RESPIRATORY CHAIN / ELECTRON TRANSPORT / HEME / INNER MEMBRANE / MEMBRANE / STROBILURINS BINDING / MITOCHONDRION / TRANSMEMBRANE / IRON / MITOCHONDRIAL INNER MEMBRANE / IRON-SULFUR / TRANSIT PEPTIDE / METAL-BINDING / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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