5FI8

Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bounded with DSM422 (Tetrahydro-2-naphthyl and 2-indanyl triazolopyrimidine)

Summary for 5FI8

Entry DOI	10.2210/pdb5fi8/pdb
Descriptor	Dihydroorotate dehydrogenase (quinone), mitochondrial, 2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, FLAVIN MONONUCLEOTIDE, ... (6 entities in total)
Functional Keywords	fmn, alpha/beta barrel, inhibitor, oxidoreductase / oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Plasmodium falciparum (isolate 3D7)
Total number of polymer chains	1
Total formula weight	46650.03
Authors	Deng, X.,Kokkonda, S.,Tomchick, D.,Phillips, M. (deposition date: 2015-12-22, release date: 2016-05-18, Last modification date: 2023-09-27)
Primary citation	Kokkonda, S.,Deng, X.,White, K.L.,Coteron, J.M.,Marco, M.,de Las Heras, L.,White, J.,El Mazouni, F.,Tomchick, D.R.,Manjalanagara, K.,Rudra, K.R.,Chen, G.,Morizzi, J.,Ryan, E.,Kaminsky, W.,Leroy, D.,Martinez-Martinez, M.S.,Jimenez-Diaz, M.B.,Bazaga, S.F.,Angulo-Barturen, I.,Waterson, D.,Burrows, J.N.,Matthews, D.,Charman, S.A.,Phillips, M.A.,Rathod, P.K. Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity. J.Med.Chem., 59:5416-5431, 2016 Cited by PubMed: 27127993 DOI: 10.1021/acs.jmedchem.6b00275 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.32 Å)

Structure validation