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Structure paper

TitleStructural plasticity of malaria dihydroorotate dehydrogenase allows selective binding of diverse chemical scaffolds.
Journal, issue, pagesJ. Biol. Chem., Vol. 284, Page 26999-27009, Year 2009
Publish dateJul 6, 2009 (structure data deposition date)
AuthorsDeng, X. / Gujjar, R. / El Mazouni, F. / Kaminsky, W. / Malmquist, N.A. / Goldsmith, E.J. / Rathod, P.K. / Phillips, M.A.
External linksJ. Biol. Chem. / PubMed:19640844
MethodsX-ray diffraction
Resolution2 - 2.5 Å
Structure data

PDB-3i65:
Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM1
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3i68:
Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM2
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-3i6r:
Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM74
Method: X-RAY DIFFRACTION / Resolution: 2.5 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-LDA:
LAURYL DIMETHYLAMINE-N-OXIDE / LDAO, detergent*YM

ChemComp-HOH:
WATER

ChemComp-J4Z:
N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

ChemComp-J5Z:
5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Source
  • plasmodium falciparum 3d7 (eukaryote)
KeywordsOXIDOREDUCTASE / Plasmodium falciparum / dihydroorotate dehydrogenase / triazolopyrimidine / inhibitor / DSM1 / FAD / Flavoprotein / Membrane / Mitochondrion / Mitochondrion inner membrane / Pyrimidine biosynthesis / Transit peptide / DSM2 / DSM74

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