6A2O

Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP

6A2O の概要

• エントリーDOI: 10.2210/pdb6a2o/pdb
• 分子名称: 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)
• 機能のキーワード: rossmann fold, dual-binding inhibitor, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Plasmodium falciparum (malaria parasite P. falciparum)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 146760.36

構造登録者

Chitnumsub, P.,Jaruwat, A.,Tarnchampoo, B.,Yuthavong, Y. (登録日: 2018-06-12, 公開日: 2019-04-24, 最終更新日: 2023-11-22)

• 主引用文献: 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; PubMed: 30613332; DOI: 10.1021/acsmedchemlett.8b00389

実験手法

X-RAY DIFFRACTION (2.35 Å)