6GWE

Crystal structure of Thrombin bound to P2 macrocycle

6GWE の概要

• エントリーDOI: 10.2210/pdb6gwe/pdb
• 分子名称: Thrombin heavy chain, Thrombin light chain, (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide, ... (7 entities in total)
• 機能のキーワード: serine portease, blood coagulation, hydrolase
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 69823.84

構造登録者

Cendron, L.,Angelini, A.,Kale, S.S.,Bergeron-Brlek, M.,Wu, Y.,Heinis, C. (登録日: 2018-06-23, 公開日: 2019-09-25, 最終更新日: 2024-01-17)

• 主引用文献: Kale, S.S.,Bergeron-Brlek, M.,Wu, Y.,Kumar, M.G.,Pham, M.V.,Bortoli, J.,Vesin, J.,Kong, X.D.,Machado, J.F.,Deyle, K.,Gonschorek, P.,Turcatti, G.,Cendron, L.,Angelini, A.,Heinis, C.; Thiol-to-amine cyclization reaction enables screening of large libraries of macrocyclic compounds and the generation of sub-kilodalton ligands.; Sci Adv, 5:eaaw2851-eaaw2851, 2019; PubMed: 31457083; DOI: 10.1126/sciadv.aaw2851

実験手法

X-RAY DIFFRACTION (2.3 Å)