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. 2016 Aug 23;111(4):775–784. doi: 10.1016/j.bpj.2016.07.009

Figure 2.

Figure 2

(A) Crystal structure of the P1 and P2 domains of the TWIK-1 SF, with the initial ion configuration used in all simulations. Definitions of the binding sites are provided on the left. The SF residues T117–G121 and T225–G229 are displayed in licorice representation, with van der Waals spheres representing ions and water molecules. Oxygen, nitrogen, carbon, sodium, and potassium atoms are shown in red, blue, cyan, yellow, and orange, respectively. (B–G) Ion trajectories in simulations HSE (B), HSD (C), HSP (D), HSEP (E), HSDP (F), and HSPP (G). The black traces correspond to the center of mass of the oxygen atoms of the SF residues that contribute to the binding sites. The blue, red, yellow, and pink trajectories correspond to the trajectories of individual K+ ions. Representative snapshots of each ion configuration can be found in Fig. S3. To see this figure in color, go online.