3JSU

Quadruple mutant(N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase(PFDHFR-TS) complexed with QN254, NADPH, and dUMP

Summary for 3JSU

• Entry DOI: 10.2210/pdb3jsu/pdb
• Related: 1J3I 1J3J 1J3K 3DG8 3DGA
• Descriptor: Dihydrofolate reductase-thymidylate synthase, 5-chloro-N~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 entities in total)
• Functional Keywords: rossmann fold, oxidoreductase, transferase
• Biological source: Plasmodium falciparum
• Total number of polymer chains: 2
• Total formula weight: 146643.09

Authors

Chitnumsub, P.,Maneeruttanarungroj, C.,Kamchonwongpaisan, S.,Yuthavong, Y.,Diagana, T.T. (deposition date: 2009-09-11, release date: 2010-07-28, Last modification date: 2023-11-01)

• Primary citation: Nzila, A.,Rottmann, M.,Chitnumsub, P.,Kiara, S.M.,Kamchonwongpaisan, S.,Maneeruttanarungroj, C.,Taweechai, S.,Yeung, B.K.,Goh, A.,Lakshminarayana, S.B.,Zou, B.,Wong, J.,Ma, N.L.,Weaver, M.,Keller, T.H.,Dartois, V.,Wittlin, S.,Brun, R.,Yuthavong, Y.,Diagana, T.T.; Preclinical evaluation of the antifolate QN254, 5-chloro- N'6'-(2,5-dimethoxy-benzyl)-quinazoline-2,4,6-triamine, as an antimalarial drug candidate; Antimicrob.Agents Chemother., 54:2603-2610, 2010; PubMed: 20350951; DOI: 10.1128/AAC.01526-09

Experimental method

X-RAY DIFFRACTION (2.7 Å)