5XYZ

The structure of human BTK kinase domain in complex with a covalent inhibitor

5XYZ の概要

• エントリーDOI: 10.2210/pdb5xyz/pdb
• 分子名称: Tyrosine-protein kinase BTK, N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide (2 entities in total)
• 機能のキーワード: btk, covalent inhibitor, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: Q06187
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 62586.82

構造登録者

Wang, Y.L.,Sun, Y.Z.,Cao, R.,Liu, D.,Xie, Y.T.,Li, L.,Qi, X.B.,Huang, N. (登録日: 2017-07-11, 公開日: 2018-05-23, 最終更新日: 2023-11-22)

• 主引用文献: Wang, Y.,Sun, Y.,Cao, R.,Liu, D.,Xie, Y.,Li, L.,Qi, X.,Huang, N.; In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.; J. Med. Chem., 60:8552-8564, 2017; PubMed: 28945083; DOI: 10.1021/acs.jmedchem.7b01075

実験手法

X-RAY DIFFRACTION (2.64 Å)