Figure 3. KW/GD(G) closure after PIP 2... | Rockefeller University Press

Figure 3.

KW/GD(G) closure after PIP2removal. (a) The evolution of minimal distances of residues I177 and M181 between two opposing subunits over the course of 1-µs simulation with 4 PIP2 bound (wPIP2, left) or in the absence of PIP2 (wo PIP2, right). (b) Location of water molecules (represented as small blue dots; the vertical axis represents linear distance at the pore axis) within the pore near the HBC gate. The HBC gate location is indicated by the I177 (green) and M181 (black) Cα positions. (c) Time trajectories of individual K+ ions (varying colors) as they move along the pore from the cytoplasmic end of the pore to beyond the S0 position in the SF (vertical locations match the ribbon diagram on the left). Three gates are designated and shaded in gray: SF, HBC, and G-loop. Refer to the image caption for details.

KW/GD(G) closure after PIP ₂ removal. (a) The evolution of minimal distances of residues I177 and M181 between two opposing subunits over the course of 1-µs simulation with 4 PIP₂ bound (wPIP₂, left) or in the absence of PIP₂ (wo PIP₂, right). (b) Location of water molecules (represented as small blue dots; the vertical axis represents linear distance at the pore axis) within the pore near the HBC gate. The HBC gate location is indicated by the I177 (green) and M181 (black) Cα positions. (c) Time trajectories of individual K⁺ ions (varying colors) as they move along the pore from the cytoplasmic end of the pore to beyond the S0 position in the SF (vertical locations match the ribbon diagram on the left). Three gates are designated and shaded in gray: SF, HBC, and G-loop.