Figure 1.

A molecular model of the AEKA motif of the selectivity filter of the Na+ channel in a steady-state configuration formed by MD simulation with the Na+ ion inside. I-IV P loops are shown by green ribbons, residues of AEKA by space-filled images, Na+ by a pink ball. During MD simulation the Na+ ion interacts with oxygens of glutamate(II), losing one water of hydration and easily breaking its initial hydrogen bond with lysine(III).

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