2GDE

Thrombin in complex with inhibitor

2GDE の概要

• エントリーDOI: 10.2210/pdb2gde/pdb
• 分子名称: Thrombin light chain, Thrombin heavy chain, Hirudin, ... (6 entities in total)
• 機能のキーワード: thrombin, complex structure, blood clotting-hydrolase inhibitor complex, blood clotting/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Secreted, extracellular space: P00734 P00734; Secreted: P28504
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 35858.25

構造登録者

Xue, Y. (登録日: 2006-03-16, 公開日: 2007-03-20, 最終更新日: 2024-11-06)

主引用文献

Hanessian, S.,Del Valle, J.R.,Xue, Y.,Blomberg, N.
Total synthesis and structural confirmation of chlorodysinosin A.
J.Am.Chem.Soc., 128:10491-10495, 2006

PubMed Abstract: The first enantiocontrolled total synthesis of the marine sponge metabolite chlorodysinosin A is described. The structure and absolute configuration are identical to those of dysinosin A except for the presence of a novel 2S,3R-3-chloroleucine residue in the former. A concise stereocontrolled synthesis of the new chlorine-containing amino acid fragment was developed. An X-ray cocrystal structure of synthetic chlorodysinosin A with the enzyme thrombin confirms the structure and configuration assignment achieved through total synthesis. Within the aeruginosin family of natural products, chlorodysinosin A is the most potent inhibitor of the serine proteases thrombin, factor VIIa, and factor Xa, which are critical enzymes in the process leading to platelet aggregation and fibrin mesh formation in humans.

PubMed: 16895415
DOI: 10.1021/ja0625834

実験手法

X-RAY DIFFRACTION (2 Å)