Biological and biomimetic nanochannels. (IMAGE)
Caption
(a) Side (top panel) and top views (bottom panel) of the selectivity filter of the biological KcsA channel. Four binding sites (S1, S2, S3 and S4) are aligned in series along the selectivity filter. (b) Side (top panel) and top views (bottom panel) of the biomimetic nanochannel. Twenty carbonyl oxygens (shown as spheres) were modified inside the nanotube to mimic the structure of the KcsA selectivity filter. All atoms are colored based on their charges. (c) The simulation system. The modified nanotube channel was embedded between two graphene sheets, separating the solution into two chambers. The red spheres represent the carbonyl oxygens, and the yellow, brown, and blue spheres represent Na+, K+, and Cl- ions, respectively. An electric field was applied along the positive direction of the z-axis. (d) Cumulative ion fluxes of K+ (blue line) and Na+ (red line) through the biomimetic nanochannel under 0.2 V/nm.
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