3RCD

HER2 Kinase Domain Complexed with TAK-285

3RCD の概要

• エントリーDOI: 10.2210/pdb3rcd/pdb
• 関連するPDBエントリー: 3POZ 3PP0
• 分子名称: Receptor tyrosine-protein kinase erbB-2, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide (3 entities in total)
• 機能のキーワード: kinase domain, receptor, transferase, tyrosine-protein kinase, tyrosine kinase inhibitor, transferase-transferase inhibitor complex, anti-oncogene, cell cycle, disease, mutation, atp-binding, nucleotide-binding, glycoprotein, phosphoprotein, membrane, secreted, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Isoform 1: Cell membrane; Single-pass type I membrane protein. Isoform 2: Cytoplasm. Isoform 3: Cytoplasm: P04626
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 154011.96

構造登録者

Aertgeerts, K.,Skene, R.,Sogabe, S. (登録日: 2011-03-30, 公開日: 2011-11-23, 最終更新日: 2023-09-13)

• 主引用文献: Ishikawa, T.,Seto, M.,Banno, H.,Kawakita, Y.,Oorui, M.,Taniguchi, T.,Ohta, Y.,Tamura, T.,Nakayama, A.,Miki, H.,Kamiguchi, H.,Tanaka, T.,Habuka, N.,Sogabe, S.,Yano, J.,Aertgeerts, K.,Kamiyama, K.; Design and Synthesis of Novel Human Epidermal Growth Factor Receptor 2 (HER2)/Epidermal Growth Factor Receptor (EGFR) Dual Inhibitors Bearing a Pyrrolo[3,2-d]pyrimidine Scaffold.; J.Med.Chem., 54:8030-8050, 2011; PubMed: 22003817; DOI: 10.1021/jm2008634

実験手法

X-RAY DIFFRACTION (3.21 Å)