Figure 7.

Estimation of chloroquine’s ability to block the WT and F255A mutant Kir3.1 channel using voxelation. A) Intracellular, magnified view of the WT (left) and F255A mutant (middle) channel’s aqueous pore with docked chloroquine in cyan from Figs. 4 and 6, respectively. Right: A longitudinal view of the channel’s ribbon structure, with the orange box indicating the area of the channel represented by the voxelation experiments of B and C. B) Voxelated WT channel’s ion-permeation pathway in gray, with the front subunit removed for clarity. Chloroquine is in cyan. The different snapshots show a spherical voxelated probe colored in purple, with a radius = 2.5 Å traveling through the channel, starting toward the extracellular portion and getting blocked by chloroquine. C) The voxelated F255A mutant ion-permeation pathway is in gray, with the front subunit removed for clarity. Chloroquine is in cyan. The different snapshots show a spherical, voxelated probe colored in purple, with a radius = 2.5 Å traveling down the channel, starting toward the extracellular portion, without being affected by chloroquine.