2JH5

Human Thrombin Hirugen Inhibitor complex

2JH5 の概要

• エントリーDOI: 10.2210/pdb2jh5/pdb
• 関連するPDBエントリー: 2JH0 2JH6
• 分子名称: THROMBIN LIGHT CHAIN, THROMBIN HEAVY CHAIN, HIRUDIN IIIA, ... (7 entities in total)
• 機能のキーワード: glycoprotein, serine protease, kringle, zymogen, thrombin, protease, disease mutation, blood coagulation, gamma-carboxyglutamic acid, protease inhibitor, serine protease inhibitor, sulfation, acute phase, 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: P28507
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 35751.18

構造登録者

Senger, S.,Chan, C.,Convery, M.A.,Hubbard, J.A.,Young, R.J.,Shah, G.P.,Watson, N.S. (登録日: 2007-02-20, 公開日: 2007-05-08, 最終更新日: 2017-06-28)

主引用文献

Senger, S.,Chan, C.,Convery, M.A.,Hubbard, J.A.,Shah, G.P.,Watson, N.S.,Young, R.J.
Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Bioorg.Med.Chem.Lett., 17:2931-, 2007

PubMed Abstract: Structure-based design (SBD) is a challenging endeavour since even localised SAR can hardly ever be explained by the variation of just one dominating factor. Here, we present a rare example where structural information combined with ab initio calculations clearly indicate that the observed difference in biological activity is dominated by conformational effects. The learnings discussed are successfully put to the test and have the potential to be of general use as a qualitative guide in SBD efforts.

PubMed: 17336062
DOI: 10.1016/J.BMCL.2007.02.034

実験手法

X-RAY DIFFRACTION (2.5 Å)