2JH0

Human Thrombin Hirugen Inhibitor complex

Summary for 2JH0

• Entry DOI: 10.2210/pdb2jh0/pdb
• Related: 2JH5 2JH6
• Descriptor: THROMBIN LIGHT CHAIN, THROMBIN HEAVY CHAIN, HIRUDIN IIIA, ... (7 entities in total)
• Functional Keywords: 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
• Biological source: HOMO SAPIENS (HUMAN); More
• Cellular location: Secreted, extracellular space: P00734 P28507; Secreted: P00734
• Total number of polymer chains: 3
• Total formula weight: 35765.20

Authors

Senger, S.,Chan, C.,Convery, M.A.,Hubbard, J.A.,Young, R.J.,Shah, G.P.,Watson, N.S. (deposition date: 2007-02-19, release date: 2007-05-08, Last modification date: 2013-08-07)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (1.7 Å)