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: 31685330 DOI: 10.1016/j.bmc.2019.115158 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.149 Å)

Structure validation