6A2P
Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP
Summary for 6A2P
Entry DOI | 10.2210/pdb6a2p/pdb |
Descriptor | Bifunctional dihydrofolate reductase-thymidylate synthase, 5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 entities in total) |
Functional Keywords | rossmann fold, dual-binding inhibitor, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Plasmodium falciparum (malaria parasite P. falciparum) |
Total number of polymer chains | 2 |
Total formula weight | 146177.23 |
Authors | Chitnumsub, P.,Jaruwat, A.,Tarnchampoo, B.,Yuthavong, Y. (deposition date: 2018-06-12, release date: 2019-04-24, Last modification date: 2023-11-22) |
Primary citation | Tarnchompoo, B.,Chitnumsub, P.,Jaruwat, A.,Shaw, P.J.,Vanichtanankul, J.,Poen, S.,Rattanajak, R.,Wongsombat, C.,Tonsomboon, A.,Decharuangsilp, S.,Anukunwithaya, T.,Arwon, U.,Kamchonwongpaisan, S.,Yuthavong, Y. Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance. ACS Med Chem Lett, 9:1235-1240, 2018 Cited by PubMed: 30613332DOI: 10.1021/acsmedchemlett.8b00389 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.6 Å) |
Structure validation
Download full validation report