5BOO

Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265

Summary for 5BOO

• Entry DOI: 10.2210/pdb5boo/pdb
• Related: 4RX0
• Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, FLAVIN MONONUCLEOTIDE, ... (4 entities in total)
• Functional Keywords: alpha/beta barrel, redox, dehydrogenase, fmn, inhibitor, mitochondrial membrane, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• Biological source: Plasmodium falciparum (isolate 3D7)
• Total number of polymer chains: 2
• Total formula weight: 95360.23

Authors

Phillips, M.,Deng, X.,Tomchick, D. (deposition date: 2015-05-27, release date: 2015-07-29, Last modification date: 2023-09-27)

• Primary citation: Phillips, M.A.,Lotharius, J.,Marsh, K.,White, J.,Dayan, A.,White, K.L.,Njoroge, J.W.,El Mazouni, F.,Lao, Y.,Kokkonda, S.,Tomchick, D.R.,Deng, X.,Laird, T.,Bhatia, S.N.,March, S.,Ng, C.L.,Fidock, D.A.,Wittlin, S.,Lafuente-Monasterio, M.,Benito, F.J.,Alonso, L.M.,Martinez, M.S.,Jimenez-Diaz, M.B.,Bazaga, S.F.,Angulo-Barturen, I.,Haselden, J.N.,Louttit, J.,Cui, Y.,Sridhar, A.,Zeeman, A.M.,Kocken, C.,Sauerwein, R.,Dechering, K.,Avery, V.M.,Duffy, S.,Delves, M.,Sinden, R.,Ruecker, A.,Wickham, K.S.,Rochford, R.,Gahagen, J.,Iyer, L.,Riccio, E.,Mirsalis, J.,Bathhurst, I.,Rueckle, T.,Ding, X.,Campo, B.,Leroy, D.,Rogers, M.J.,Rathod, P.K.,Burrows, J.N.,Charman, S.A.; A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.; Sci Transl Med, 7:296ra111-296ra111, 2015; PubMed: 26180101; DOI: 10.1126/scitranslmed.aaa6645

Experimental method

X-RAY DIFFRACTION (2.8 Å)