5JFD

Thrombin in complex with (S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-D-arginyl)pyrrolidine-2-carboxamide

5JFD の概要

• エントリーDOI: 10.2210/pdb5jfd/pdb
• 関連するPDBエントリー: 3EQ0
• 関連するBIRD辞書のPRD_ID: PRD_000667
• 分子名称: Prothrombin, Hirudin variant-2, (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]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: 36532.97

構造登録者

Sandner, A.,Heine, A.,Klebe, G. (登録日: 2016-04-19, 公開日: 2017-05-24, 最終更新日: 2024-01-10)

• 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 (1.46 Å)