6KOT
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12128 and NADPH
Summary for 6KOT
Entry DOI | 10.2210/pdb6kot/pdb |
Descriptor | Bifunctional dihydrofolate reductase-thymidylate synthase, 4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 entities in total) |
Functional Keywords | quadruple mutant dihydrofolate reductase, inhibitor, plasmodium falciparum, oxidoreductase, transferase |
Biological source | Plasmodium falciparum (malaria parasite P. falciparum) |
Total number of polymer chains | 2 |
Total formula weight | 146781.21 |
Authors | Vanichtanankul, J.,Vitsupakorn, D. (deposition date: 2019-08-13, release date: 2019-12-04, Last modification date: 2023-11-22) |
Primary citation | Saepua, S.,Sadorn, K.,Vanichtanankul, J.,Anukunwithaya, T.,Rattanajak, R.,Vitsupakorn, D.,Kamchonwongpaisan, S.,Yuthavong, Y.,Thongpanchang, C. 6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum. Bioorg.Med.Chem., 27:115158-115158, 2019 Cited by PubMed: 31685330DOI: 10.1016/j.bmc.2019.115158 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.149 Å) |
Structure validation
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