Structures of human Bruton's tyrosine kinase in active and inactive conformations suggest a mechanism of activation for TEC family kinases

Protein Sci. 2010 Mar;19(3):429-39. doi: 10.1002/pro.321.

Abstract

Bruton's tyrosine kinase (BTK), a member of the TEC family of kinases, plays a crucial role in B-cell maturation and mast cell activation. Although the structures of the unphosphorylated mouse BTK kinase domain and the unphosphorylated and phosphorylated kinase domains of human ITK are known, understanding the kinase selectivity profiles of BTK inhibitors has been hampered by the lack of availability of a high resolution, ligand-bound BTK structure. Here, we report the crystal structures of the human BTK kinase domain bound to either Dasatinib (BMS-354825) at 1.9 A resolution or to 4-amino-5-(4-phenoxyphenyl)-7H-pyrrolospyrimidin- 7-yl-cyclopentane at 1.6 A resolution. This data provides information relevant to the development of small molecule inhibitors targeting BTK and the TEC family of nonreceptor tyrosine kinases. Analysis of the structural differences between the TEC and Src families of kinases near the Trp-Glu-Ile motif in the N-terminal region of the kinase domain suggests a mechanism of regulation of the TEC family members.

MeSH terms

  • Agammaglobulinaemia Tyrosine Kinase
  • Amino Acid Sequence
  • Crystallography, X-Ray
  • Dasatinib
  • Enzyme Activation
  • Humans
  • Molecular Sequence Data
  • Protein Conformation
  • Protein Kinase Inhibitors / chemistry
  • Protein-Tyrosine Kinases / antagonists & inhibitors
  • Protein-Tyrosine Kinases / chemistry*
  • Protein-Tyrosine Kinases / metabolism*
  • Pyrimidines / chemistry
  • Pyrroles / chemistry
  • Thiazoles / chemistry

Substances

  • 4-amino-5-(4-phenoxyphenyl)-7H-pyrrolopyrimidin-7-ylcyclopentane
  • Protein Kinase Inhibitors
  • Pyrimidines
  • Pyrroles
  • Thiazoles
  • Tec protein-tyrosine kinase
  • Protein-Tyrosine Kinases
  • Agammaglobulinaemia Tyrosine Kinase
  • BTK protein, human
  • Btk protein, mouse
  • Dasatinib

Associated data

  • PDB/3GEN
  • PDB/3K54