FIGURE 7.

Last snapshots (t = 50 ns) from the simulated systems viewed from the cytoplasm: A, sodium; B, FORM; C, ACET. Bound sodium ions are shown as purple spheres. Note the deflection of the third Na⁺ ion toward Asp⁹²⁶, with respect to its location in the crystal structure (18). Ion binding residues are shown in licorice and organic cations as bigger spheres (carbon is shown in green, nitrogen in red, and hydrogen in white). Water molecules within the binding sites are shown as small red (oxygen)-white (hydrogen) spheres.