Venkatakrishnan, A. J.;
Ma, Anthony K.;
Fonseca, Rasmus;
Latorraca, Naomi R.;
Kelly, Brendan;
Betz, Robin M.;
Asawa, Chaitanya;
Kobilka, Brian K.;
Dror, Ron O.
Diverse GPCRs exhibit conserved water networks for stabilization and activation
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Medientyp:
E-Artikel
Titel:
Diverse GPCRs exhibit conserved water networks for stabilization and activation
Beteiligte:
Venkatakrishnan, A. J.;
Ma, Anthony K.;
Fonseca, Rasmus;
Latorraca, Naomi R.;
Kelly, Brendan;
Betz, Robin M.;
Asawa, Chaitanya;
Kobilka, Brian K.;
Dror, Ron O.
Erschienen:
Proceedings of the National Academy of Sciences, 2019
Erschienen in:Proceedings of the National Academy of Sciences
Beschreibung:
<jats:title>Significance</jats:title>
<jats:p>G protein-coupled receptors (GPCRs) represent both the largest class of drug targets and the largest family of human membrane proteins. Recent three-dimensional structures have revealed the presence of many water molecules buried inside GPCRs, but the functional role of these water molecules has been unclear. Using extensive atomic-level computer simulations, we find that, although most of these waters are highly mobile, a few are stable. These stable water molecules mediate state-dependent and state-independent polar networks that are conserved across diverse GPCRs. These findings promise to help guide the rational design of GPCR-targeted drugs.</jats:p>