4UFD

Thrombin in complex with 4-(((1-((2S)-1-((2R)-2-(benzylsulfonylamino)- 3-phenyl-propanoyl)pyrrolidin-2-yl)-1-oxo-ethyl)amino)methyl) benzamidine

4UFD の概要

• エントリーDOI: 10.2210/pdb4ufd/pdb
• 関連するPDBエントリー: 4UFE 4UFF 4UFG
• 分子名称: THROMBIN HEAVY CHAIN, HIRUDIN VARIANT-2, THROMBIN LIGHT CHAIN, ... (9 entities in total)
• 機能のキーワード: hydrolase, hydrolase inhibitor complex, serine protease, blood coagulation, blood clotting, convertion of fibrinogen to fibrin, blood clotting inhibitor, thrombin inhibitor, preorganization, glycosylation, blood
• 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: 35726.53

構造登録者

Ruehmann, E.,Heine, A.,Klebe, G. (登録日: 2015-03-16, 公開日: 2016-01-27, 最終更新日: 2023-12-20)

• 主引用文献: Ruhmann, E.H.,Rupp, M.,Betz, M.,Heine, A.,Klebe, G.; Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.; Chemmedchem, 11:309-, 2016; PubMed: 26762840; DOI: 10.1002/CMDC.201500531

実験手法

X-RAY DIFFRACTION (1.429 Å)