6ROT

Thrombin in complex with MI2105

6ROT の概要

• エントリーDOI: 10.2210/pdb6rot/pdb
• 関連するPDBエントリー: 3RML 5JFD 5JZY 5LCE 5LPD 6GBW
• 分子名称: Prothrombin, Hirudin variant-2, (2~{S})-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide, ... (9 entities in total)
• 機能のキーワード: coagulation, blood clotting, convertion of fibrinogen to fibrin, blood clotting inhibitor, thrombin inhibitor, preorganization, glycosylation, blood, hydrolase
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 35930.22

構造登録者

Sandner, A.,Heine, A.,Klebe, G. (登録日: 2019-05-13, 公開日: 2019-11-27, 最終更新日: 2024-01-24)

• 主引用文献: Sandner, A.,Hufner-Wulsdorf, T.,Heine, A.,Steinmetzer, T.,Klebe, G.; Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.; J.Med.Chem., 62:9753-9771, 2019; PubMed: 31633354; DOI: 10.1021/acs.jmedchem.9b01196

実験手法

X-RAY DIFFRACTION (1.339 Å)