3SFK

Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM267

Summary for 3SFK

• Entry DOI: 10.2210/pdb3sfk/pdb
• Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, 2-(1,1-difluoroethyl)-5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, FLAVIN MONONUCLEOTIDE, ... (5 entities in total)
• Functional Keywords: alpha beta fold, pyrimidine biosynthesis, flavoprotein, mitochondrion inner membrane, alpha beta barrel oxidoreductase, inhibitor dsm267, fmn, plasmodium falciparum membrane mitochondrion, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Plasmodium falciparum 3D7; More
• Cellular location: Mitochondrion inner membrane ; Single-pass membrane protein : Q08210
• Total number of polymer chains: 1
• Total formula weight: 46240.54

Authors

Deng, X.,Phillips, M. (deposition date: 2011-06-13, release date: 2011-07-06, Last modification date: 2023-09-13)

• Primary citation: Coteron, J.M.,Marco, M.,Esquivias, J.,Deng, X.,White, K.L.,White, J.,Koltun, M.,El Mazouni, F.,Kokkonda, S.,Katneni, K.,Bhamidipati, R.,Shackleford, D.M.,Angulo-Barturen, I.,Ferrer, S.B.,Jimenez-Diaz, M.B.,Gamo, F.J.,Goldsmith, E.J.,Charman, W.N.,Bathurst, I.,Floyd, D.,Matthews, D.,Burrows, J.N.,Rathod, P.K.,Charman, S.A.,Phillips, M.A.; Structure-Guided Lead Optimization of Triazolopyrimidine-Ring Substituents Identifies Potent Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors with Clinical Candidate Potential.; J.Med.Chem., 54:5540-5561, 2011; PubMed: 21696174; DOI: 10.1021/jm200592f

Experimental method

X-RAY DIFFRACTION (2.95 Å)