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: 32248693 DOI: 10.1021/acs.jmedchem.0c00311 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.25 Å)

Structure validation