6LEZ
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 46 and NADPH
Summary for 6LEZ
Entry DOI | 10.2210/pdb6lez/pdb |
Descriptor | Bifunctional dihydrofolate reductase-thymidylate synthase, 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 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 | 146146.58 |
Authors | Vanichtanankul, J.,Vitsupakorn, D. (deposition date: 2019-11-27, release date: 2020-12-02, 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 Cited by PubMed: 32294614DOI: 10.1016/j.ejmech.2020.112263 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.644 Å) |
Structure validation
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