3DGA

Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF01302, NADPH, and dUMP

Summary for 3DGA

• Entry DOI: 10.2210/pdb3dga/pdb
• Related: 1J3I 1J3J 1J3K 3DG8
• Descriptor: Bifunctional dihydrofolate reductase-thymidylate synthase, N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (6 entities in total)
• Functional Keywords: alpha-beta, methyltransferase, oxidoreductase, transferase
• Biological source: Plasmodium falciparum; More
• Total number of polymer chains: 4
• Total formula weight: 146358.76

Authors

Dasgupta, T.,Chitnumsub, P.,Maneeruttanarungroj, C.,Kamchonwongpaisan, S.,Nichols, S.,Lyons, T.M.,Tirado-Rives, J.,Jorgensen, W.L.,Yuthavong, Y.,Anderson, K.S. (deposition date: 2008-06-13, release date: 2009-01-27, Last modification date: 2023-08-30)

• Primary citation: Dasgupta, T.,Chitnumsub, P.,Kamchonwongpaisan, S.,Maneeruttanarungroj, C.,Nichols, S.E.,Lyons, T.M.,Tirado-Rives, J.,Jorgensen, W.L.,Yuthavong, Y.,Anderson, K.S.; Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria.; Acs Chem.Biol., 4:29-40, 2009; PubMed: 19146480; DOI: 10.1021/cb8002804

Experimental method

X-RAY DIFFRACTION (2.7 Å)