5H0E

Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanamide

5H0E の概要

• エントリーDOI: 10.2210/pdb5h0e/pdb
• 関連するPDBエントリー: 5H09 5H0A 5H0B 5H0C 5H0D 5H0F 5H0G 5H0H
• 分子名称: Tyrosine-protein kinase HCK, (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide (3 entities in total)
• 機能のキーワード: transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Isoform 1: Lysosome. Isoform 2: Cell membrane ; Lipid-anchor . Cytoplasmic vesicle, secretory vesicle: P08631
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 52512.87

構造登録者

Tomabechi, Y.,Kukimoto-Niino, M.,Shirouzu, M. (登録日: 2016-10-04, 公開日: 2017-10-04, 最終更新日: 2023-11-15)

• 主引用文献: Yuki, H.,Kikuzato, K.,Koda, Y.,Mikuni, J.,Tomabechi, Y.,Kukimoto-Niino, M.,Tanaka, A.,Shirai, F.,Shirouzu, M.,Koyama, H.,Honma, T.; Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.; Bioorg. Med. Chem., 25:4259-4264, 2017; PubMed: 28662963; DOI: 10.1016/j.bmc.2017.05.053

実験手法

X-RAY DIFFRACTION (2.1 Å)