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Central cavity dehydration as a gating mechanism of potassium channels. | LitMetric

Central cavity dehydration as a gating mechanism of potassium channels.

Nat Commun

Department of Theoretical and Computational Biophysics, Max-Planck Institute for Multidisciplinary Sciences, Am Fassberg 11, 37077, Göttingen, Germany.

Published: April 2023

AI Article Synopsis

  • The hydrophobic gating model explains how certain ion channels, like potassium channels, prevent ion movement through hydration instead of physical blockage.
  • Researchers conducted molecular dynamics simulations to understand how the hydration level in these channels affects their function, finding that lower hydration correlates with reduced ion flow.
  • The study reveals that changes in hydration (dewetting) are linked to structural changes in potassium channels, impacting their activity, and suggests these findings could apply to other ion channels as well.

Article Abstract

The hydrophobic gating model, in which ion permeation is inhibited by the hydrophobicity, rather than a physical occlusion of the nanopore, functions in various ion channels including potassium channels. Available research focused on the energy barriers for ion/water conduction due to the hydrophobicity, whereas how hydrophobic gating affects the function and structure of channels remains unclear. Here, we use potassium channels as examples and conduct molecular dynamics simulations to investigate this problem. Our simulations find channel activities (ion currents) highly correlated with cavity hydration level, implying insufficient hydration as a barrier for ion permeation. Enforced cavity dehydration successfully induces conformational transitions between known channel states, further implying cavity dewetting as a key step in the gating procedure of potassium channels utilizing different activation mechanisms. Our work reveals how the cavity dewetting is coupled to structural changes of potassium channels and how it affects channel activity. The conclusion may also apply to other ion channels.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10110622PMC
http://dx.doi.org/10.1038/s41467-023-37531-8DOI Listing

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