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Keywords:

  • computational chemistry;
  • directional selection;
  • long-range effects;
  • protein-protein interactions;
  • ubiquitin
Thumbnail image of graphical abstract

Meeting your match: The early molecular recognition event of ubiquitin with the ubiquitin-interacting motif (UIM) of Hrs protein starts out with a directional bias in the position of UIM, increasingly favoring directions facing the binding interface of ubiquitin as the distance decreases (see figure). This process, which is driven by electrostatic long-range interactions, precedes an internal conformational population shift.