Figure 5.
- ID
- ZDB-FIG-210113-139
- Publication
- Wague et al., 2020 - Mechanistic insights into volatile anesthetic modulation of K2P channels
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(A) By rotating the TREK1 structure shown in Figure 2 (top left, dashed arrow), we demonstrate the region of TM2, TM3, and TM4 that forms the isoflurane-binding site (top right, boxed). Below, a representative MD simulation snapshot of the isoflurane binding pocket, highlighting the G182 residue (sphere) and additional positions found to exhibit high isoflurane occupancy (sticks). Relative isoflurane occupancy for each residue (see Table 1) is shown as quartiles, as described on left (B) Position of the oxygen atom at the center of the isoflurane molecule during equilibrium MD simulation trajectory 2 of mTREK1 WT in the presence of isoflurane (C) Density map of the position of the bound isoflurane. Isosurfaces represent 10% (gray), 30% (yellow), and 50% (orange) isoflurane occupancy. |