Quantitative analysis of the water occupancy around the selectivity filter of a K+ channel in different gating modes
- Weingarth, Markus
- Van Der Cruijsen, Elwin A W
- Ostmeyer, Jared
- Lievestro, Sylke
- Roux, Benoiît
- Baldus, Marc
- NMR Spectroscopy
- Sub NMR Spectroscopy
- NMR Spectroscopy
DOIAbstract
Recovery in K+ channels, that is, the transition from the inactivated nonconductive selectivity filter conformation toward the conductive conformation, occurs on a time scale of the order of seconds, which is astonishingly long, given that the structural differences among the filter conformations are faint (<1 Å). Computational studies and electrophysiological measurements suggested that buried water molecules bound behind the selectivity filter are at the origin of the slowness of recovery in K+ channels. Using a combination of solid-state NMR spectroscopy (ssNMR) and long molecular dynamics simulations, we sketch a high-resolution map of the spatial and temporal distribution of water behind the selectivity filter of a membrane-embedded K+...
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