6LHJ

Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C452 (compound 16) and NADPH

Summary for 6LHJ

• Entry DOI: 10.2210/pdb6lhj/pdb
• Descriptor: Bifunctional dihydrofolate reductase-thymidylate synthase, 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (6 entities in total)
• Functional Keywords: inhinitor, antifolate, dyhydrofolate reductase, plasmodium falciparum, antibiotic, oxidoreductase
• Biological source: Plasmodium falciparum (malaria parasite P. falciparum)
• Total number of polymer chains: 2
• Total formula weight: 146703.13

Authors

Vanichtanankul, J.,Vitsupakorn, D. (deposition date: 2019-12-09, release date: 2020-11-11, Last modification date: 2023-11-22)

• Primary citation: Kamchonwongpaisan, S.,Charoensetakul, N.,Srisuwannaket, C.,Taweechai, S.,Rattanajak, R.,Vanichtanankul, J.,Vitsupakorn, D.,Arwon, U.,Thongpanchang, C.,Tarnchompoo, B.,Vilaivan, T.,Yuthavong, Y.; Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.; Eur.J.Med.Chem., 195:112263-112263, 2020; PubMed: 32294614; DOI: 10.1016/j.ejmech.2020.112263

Experimental method

X-RAY DIFFRACTION (2.4 Å)