3HAT

ACTIVE SITE MIMETIC INHIBITION OF THROMBIN

「2HAT」から置き換えられました

3HAT の概要

• エントリーDOI: 10.2210/pdb3hat/pdb
• 分子名称: Thrombin light chain, Thrombin heavy chain, Hirudin variant-2, ... (5 entities in total)
• 機能のキーワード: complex (serine protease-inhibitor), complex (serine protease-inhibitor) complex, hydrolase-hydrolase inhibitor complex, hydrolase/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: P09945
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 35964.94

構造登録者

Tulinsky, A.,Mathews, I.I. (登録日: 1994-10-16, 公開日: 1995-02-27, 最終更新日: 2024-10-30)

主引用文献

Mathews, I.I.,Tulinsky, A.
Active-site mimetic inhibition of thrombin.
Acta Crystallogr.,Sect.D, 51:550-559, 1995

PubMed Abstract: The structures of two mimetic inhibitor complexes of human alpha-thrombin have been determined by X-ray crystallography. One mimics a beta-turn with a bicyclic ring system; the other mimics two different active-site binding modes. The beta-turn mimetic is used to approximate a turn found in the conformation of fibrinopeptide A, which is catalytically released by thrombin in the activation of fibrinogen to fibrin. The binding of the second mimetic is a hybrid between normal substrate and the abnormal binding of the potent natural leech inhibitor hirudin. The binding of the beta-turn mimetic is tenuous, because it is like a substrate, while that of the substrate-hirudin hybrid is that of a tenacious inhibitor (which it is). Structurally retrospect modifications for rational design and improvement of both mimetic inhibitors are proposed.

PubMed: 15299843
DOI: 10.1107/S0907444994013132

実験手法

X-RAY DIFFRACTION (2.5 Å)