5DAF

Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64063

5DAF の概要

• エントリーDOI: 10.2210/pdb5daf/pdb
• 関連するPDBエントリー: 5DAD
• 分子名称: Kelch-like ECH-associated protein 1, (5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile (3 entities in total)
• 機能のキーワード: keap1, trascription regulation, btb domain, cysteine modification, c1-(r)-cys151 adduct, transcription
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: Q14145
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 15929.37

構造登録者

Huerta, C.,Jiang, X.,Trevino, I.,Bender, C.F.,Swinger, K.K.,Stoll, V.S.,Ferguson, D.A.,Thomas, P.J.,Probst, B.,Dulubova, I.,Visnick, M.,Wigley, W.C. (登録日: 2015-08-19, 公開日: 2016-08-10, 最終更新日: 2017-11-22)

• 主引用文献: Huerta, C.,Jiang, X.,Trevino, I.,Bender, C.F.,Ferguson, D.A.,Probst, B.,Swinger, K.K.,Stoll, V.S.,Thomas, P.J.,Dulubova, I.,Visnick, M.,Wigley, W.C.; Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding.; Biochim.Biophys.Acta, 1860:2537-2552, 2016; PubMed: 27474998; DOI: 10.1016/j.bbagen.2016.07.026

実験手法

X-RAY DIFFRACTION (2.37 Å)