4KAK

Crystal structure of human dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3S)-3-[3-methoxy-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006)

4KAK の概要

• エントリーDOI: 10.2210/pdb4kak/pdb
• 関連するPDBエントリー: 4KBN 4KD7 4KEB 4KFJ
• 分子名称: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ... (6 entities in total)
• 機能のキーワード: oxidoreductase, 5, 6, 7, 8-tetrahydrofolate; nadp+; 7, 8-dihydrofolate, hydride shift, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 45327.45

構造登録者

Lamb, K.M.,Anderson, A.C. (登録日: 2013-04-22, 公開日: 2013-10-09, 最終更新日: 2023-09-20)

• 主引用文献: Lamb, K.M.,G-Dayanandan, N.,Wright, D.L.,Anderson, A.C.; Elucidating features that drive the design of selective antifolates using crystal structures of human dihydrofolate reductase.; Biochemistry, 52:7318-7326, 2013; PubMed: 24053334; DOI: 10.1021/bi400852h

実験手法

X-RAY DIFFRACTION (1.8 Å)