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The Na + and K + channels are essential to neural signaling, but our current knowledge at the atomic level is mainly limited to the conducting mechanism of K + . Unlike a K + channel having four equivalent K + -binding sites in its selectivity filter, a NaK channel has a vestibule in the middle part of its selectivity filter, and can conduct both Na + ...
Ion distribution in the selectivity filter and ion–water and ion–protein interactions of NaK channel are systematically investigated by all-atom molecular dynamics simulations, with the tetramer channel protein being embedded in a solvated phospholipid bilayer. Analysis of the simulation results indicates that K + ions prefer to bind within the sites formed by two adjacent planes of oxygen...
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