Figure 13.

Molecular simulation shows that the D863/E865 and E373 mutated channels can no longer bind sodium. A, The rmsD of the backbone of the mutated Slack channel during MD simulation (5U76 as a template). B, The rmsF of total Na⁺ ions in the simulation system of a Slack channel homology model. C, During the MD simulation process, the distances from a sodium ion to residues D863/E865/E787/D818 pocket in subunit b. D, E, Snapshots of the simulated local structure of N863/Q865 (D) and the E373 (E) residues.