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TitleIdentification and Mechanistic Understanding of Dihydroorotate Dehydrogenase Point Mutations in Plasmodium falciparum that Confer in Vitro Resistance to the Clinical Candidate DSM265.
Journal, issue, pagesACS Infect Dis, Vol. 5, Page 90-101, Year 2019
Publish dateJul 6, 2018 (structure data deposition date)
AuthorsWhite, J. / Dhingra, S.K. / Deng, X. / El Mazouni, F. / Lee, M.C.S. / Afanador, G.A. / Lawong, A. / Tomchick, D.R. / Ng, C.L. / Bath, J. ...White, J. / Dhingra, S.K. / Deng, X. / El Mazouni, F. / Lee, M.C.S. / Afanador, G.A. / Lawong, A. / Tomchick, D.R. / Ng, C.L. / Bath, J. / Rathod, P.K. / Fidock, D.A. / Phillips, M.A.
External linksACS Infect Dis / PubMed:30375858
MethodsX-ray diffraction
Resolution2.099 Å
Structure data

PDB-6e0b:
Plasmodium falciparum dihydroorotate dehydrogenase C276F mutant bound with triazolopyrimidine-based inhibitor DSM1
Method: X-RAY DIFFRACTION / Resolution: 2.099 Å

Chemicals

ChemComp-JZ8:
5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-ORO:
OROTIC ACID

ChemComp-GOL:
GLYCEROL

ChemComp-LDA:
LAURYL DIMETHYLAMINE-N-OXIDE / LDAO, detergent*YM

ChemComp-HOH:
WATER

Source
  • plasmodium falciparum (malaria parasite P. falciparum)
KeywordsOXIDOREDUCTASE / PLASMODIUM FALCIPARUM / DIHYDROOROTATE DEHYDROGENASE / TRIAZOLOPYRIMIDINE / INHIBITOR / DSM1 / FAD / FLAVOPROTEIN / MEMBRANE / MITOCHONDRION / MITOCHONDRION INNER MEMBRANE / PYRIMIDINE BIOSYNTHESIS / TRANSIT PEPTIDE

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