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@ARTICLE{Bondar:909981,
      author       = {Bondar, Ana-Nicoleta and Alfonso-Prieto, Mercedes},
      title        = {{H}ydrogen-bond networks for proton couplings in
                      {G}-{P}rotein coupled receptors},
      journal      = {Frontiers in physics},
      volume       = {10},
      issn         = {2296-424X},
      address      = {Lausanne},
      publisher    = {Frontiers Media},
      reportid     = {FZJ-2022-03570},
      pages        = {963716},
      year         = {2022},
      abstract     = {G-protein signaling pathways mediate communication across
                      cell membranes. The first steps of this communication occur
                      at the cell membrane, where upon receiving an external
                      signal –the binding of an agonist ligand– the
                      membrane-embedded G-Protein Coupled Receptor adopts a
                      conformation recognized by a cytoplasmatic G protein.
                      Whereas specialized GPCRs sense protons from the
                      extracellular milieu, thus acting as pH sensors in
                      specialized cells, accumulating evidence suggests that pH
                      sensitivity might be common to distinct GPCRs. In this
                      perspective article we discuss general principles of
                      protonation-coupled protein conformational dynamics and how
                      these apply to GPCRs. To dissect molecular interactions that
                      might govern the protonation-coupled conformational dynamics
                      of GPCRs, we use graph-based algorithms to compute graphs of
                      hydrogen bond networks. We find that the internal H-bond
                      networks contain sites where structural rearrangements upon
                      protonation change could be transmitted throughout the
                      protein. Proton binding to bulk-exposed clusters of
                      titratable protein sidechains ensures the pH sensing
                      mechanism is robust.},
      cin          = {IAS-5 / INM-9},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-5-20120330 / I:(DE-Juel1)INM-9-20140121},
      pnm          = {5241 - Molecular Information Processing in Cellular Systems
                      (POF4-524) / DFG project 291198853 - FOR 2518: Funktionale
                      Dynamik von Ionenkanälen und Transportern - DynIon -},
      pid          = {G:(DE-HGF)POF4-5241 / G:(GEPRIS)291198853},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000856060100001},
      doi          = {10.3389/fphy.2022.963716},
      url          = {https://juser.fz-juelich.de/record/909981},
}