The charge-dipole pocket: a defining feature of signaling pathway GTPase on/off switches

J Mol Biol. 2009 Jul 3;390(1):142-53. doi: 10.1016/j.jmb.2009.05.001. Epub 2009 May 7.

Abstract

Ras-like GTPases function as on/off switches in intracellular signaling pathways. Their on or off state is communicated through conformational changes in the so-called switch I and II regions. It is commonly believed that the distinguishing molecular features of these GTPases are well known. Here, however, I identify-through a Bayesian iterative analysis of GTPase evolutionary divergence-a previously undescribed switch II structural component that (along with previously described, functionally critical residues) most distinguish these signaling pathway on/off switches from other GTPases. In certain Ras-like GTPases this newly-identified component forms an aromatic pocket around the negative-dipole moment at the end of a switch II helix with a positively charged residue inserted into the pocket. This helix is oriented in a specific direction away from the GTPase core, but is reoriented dramatically upon disruption of the charge-dipole pocket. The charge-dipole pocket occurs in both the on and off states and both the charge-dipole pocket and an alternative configuration occur within the unit cell of a single crystal structure of Rab5a GTPase in the off state. Thus, the charge-dipole pocket configuration is closely associated, not with the on or off state, but rather with formation of the outward-oriented helix and, as a result, with restructuring of the switch II N-terminal region, which has a critical role both in sensing the on/off state and in mediating GTP hydrolysis and nucleotide exchange.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Amino Acid Sequence
  • Binding Sites
  • GTP-Binding Protein alpha Subunits / chemistry*
  • GTP-Binding Protein alpha Subunits / metabolism*
  • Guanosine Triphosphate / metabolism
  • Models, Biological
  • Models, Molecular
  • Molecular Sequence Data
  • Protein Structure, Secondary
  • Sequence Alignment
  • Static Electricity
  • ras Proteins / chemistry*
  • ras Proteins / metabolism*

Substances

  • GTP-Binding Protein alpha Subunits
  • Guanosine Triphosphate
  • ras Proteins