6VTN
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM557
Summary for 6VTN
Entry DOI | 10.2210/pdb6vtn/pdb |
Descriptor | Dihydroorotate dehydrogenase (quinone), mitochondrial, N-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1H-pyrrole-2-carboxamide, FLAVIN MONONUCLEOTIDE, ... (5 entities in total) |
Functional Keywords | oxidoreductase, mitochondria, alpha-beta barrel |
Biological source | Plasmodium falciparum (isolate 3D7) |
Total number of polymer chains | 1 |
Total formula weight | 46338.67 |
Authors | Deng, X.,Phillips, M. (deposition date: 2020-02-13, release date: 2020-04-22, Last modification date: 2023-10-11) |
Primary citation | Kokkonda, S.,Deng, X.,White, K.L.,El Mazouni, F.,White, J.,Shackleford, D.M.,Katneni, K.,Chiu, F.C.K.,Barker, H.,McLaren, J.,Crighton, E.,Chen, G.,Angulo-Barturen, I.,Jimenez-Diaz, M.B.,Ferrer, S.,Huertas-Valentin, L.,Martinez-Martinez, M.S.,Lafuente-Monasterio, M.J.,Chittimalla, R.,Shahi, S.P.,Wittlin, S.,Waterson, D.,Burrows, J.N.,Matthews, D.,Tomchick, D.,Rathod, P.K.,Palmer, M.J.,Charman, S.A.,Phillips, M.A. Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria. J.Med.Chem., 63:4929-4956, 2020 Cited by PubMed: 32248693DOI: 10.1021/acs.jmedchem.0c00311 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.25 Å) |
Structure validation
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