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Structure paper

TitleStructural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Journal, issue, pagesRsc Chem Biol, Vol. 3, Page 420-425, Year 2022
Publish dateDec 12, 2021 (structure data deposition date)
AuthorsHorwitz, S.M. / Blue, T.C. / Ambarian, J.A. / Hoshino, S. / Seyedsayamdost, M.R. / Davis, K.M.
External linksRsc Chem Biol / PubMed:35441142
MethodsX-ray diffraction
Resolution2.25 - 2.62 Å
Structure data

PDB-7t5k:
E. coli dihydroorotate dehydrogenase bound to the inhibitor HQNO
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-7t5y:
E. coli dihydroorotate dehydrogenase bound to the inhibitor HMNQ
Method: X-RAY DIFFRACTION / Resolution: 2.62 Å

PDB-7t6c:
E. coli dihydroorotate dehydrogenase bound to the ubiquinone surrogate DCIP
Method: X-RAY DIFFRACTION / Resolution: 2.53 Å

PDB-7t6h:
E. coli dihydroorotate dehydrogenase
Method: X-RAY DIFFRACTION / Resolution: 2.42 Å

Chemicals

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-HQO:
2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE

ChemComp-ORO:
OROTIC ACID

ChemComp-HOH:
WATER

ChemComp-F2D:
3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one

ChemComp-PO4:
PHOSPHATE ION

ChemComp-PE4:
2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL / precipitant*YM

ChemComp-RLM:
2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol

ChemComp-GOL:
GLYCEROL

Source
  • escherichia coli k-12 (bacteria)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / inhibitor / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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