6PS8

XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin.

6PS8 の概要

• エントリーDOI: 10.2210/pdb6ps8/pdb
• 分子名称: Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide (2 entities in total)
• 機能のキーワード: gpcr, complex-lcp method, sbdd, drug design, xfel, lcp-sfx, ligand exchange, agomelatine, 2-phenyl melatonin, membrane protein, mt1
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 56905.73

構造登録者

Ishchenko, A.,Stauch, B.,Han, G.W.,Batyuk, A.,Shiriaeva, A.,Li, C.,Zatsepin, N.A.,Weierstall, U.,Liu, W.,Nango, E.,Nakane, T.,Tanaka, R.,Tono, K.,Joti, Y.,Iwata, S.,Moraes, I.,Gati, C.,Cherezov, C. (登録日: 2019-07-12, 公開日: 2019-11-13, 最終更新日: 2023-10-11)

• 主引用文献: Ishchenko, A.,Stauch, B.,Han, G.W.,Batyuk, A.,Shiriaeva, A.,Li, C.,Zatsepin, N.,Weierstall, U.,Liu, W.,Nango, E.,Nakane, T.,Tanaka, R.,Tono, K.,Joti, Y.,Iwata, S.,Moraes, I.,Gati, C.,Cherezov, V.; Toward G protein-coupled receptor structure-based drug design using X-ray lasers.; Iucrj, 6:1106-1119, 2019; PubMed: 31709066; DOI: 10.1107/S2052252519013137

実験手法

X-RAY DIFFRACTION (3.3 Å)