Crystal structure of the human alpha-thrombin-haemadin complex: an exosite II-binding inhibitor

EMBO J. 2000 Nov 1;19(21):5650-60. doi: 10.1093/emboj/19.21.5650.

Abstract

The serine proteinase alpha-thrombin plays a pivotal role in the regulation of blood fluidity, and therefore constitutes a primary target in the treatment of various haemostatic disorders. Haemadin is a slow tight- binding thrombin inhibitor from the land-living leech Haemadipsa sylvestris. Here we present the 3.1 A crystal structure of the human alpha-thrombin- haemadin complex. The N-terminal segment of haemadin binds to the active site of thrombin, forming a parallel beta-strand with residues Ser214-Gly216 of the proteinase. This mode of binding is similar to that observed in another leech-derived inhibitor, hirudin. In contrast to hirudin, however, the markedly acidic C-terminal peptide of haemadin does not bind the fibrinogen-recognition exosite, but interacts with the heparin-binding exosite of thrombin. Thus, haemadin binds to thrombin according to a novel mechanism, despite an overall structural similarity with hirudin. Haemadin inhibits both free and thrombomodulin-bound alpha-thrombin, but not intermediate activation forms such as meizothrombin. This specific anticoagulant ability of haemadin makes it an ideal candidate for an antithrombotic agent, as well as a starting point for the design of novel antithrombotics.

Publication types

  • Comparative Study

MeSH terms

  • Amino Acid Sequence
  • Animals
  • Binding Sites
  • Crystallography, X-Ray
  • Hirudins / metabolism
  • Hirudins / pharmacology
  • Humans
  • In Vitro Techniques
  • Invertebrate Hormones / chemistry*
  • Invertebrate Hormones / metabolism
  • Invertebrate Hormones / pharmacology*
  • Leeches / chemistry
  • Macromolecular Substances
  • Models, Molecular
  • Molecular Sequence Data
  • Protein Conformation
  • Sequence Homology, Amino Acid
  • Solutions
  • Thrombin / antagonists & inhibitors*
  • Thrombin / chemistry*
  • Thrombin / metabolism

Substances

  • Hirudins
  • Invertebrate Hormones
  • Macromolecular Substances
  • Solutions
  • haemadin
  • Thrombin