Extended Data Fig. 7: Molecular dynamics simulations.

a, Conductance of water and Na⁺ ions through the selectivity filter and gate of the closed, sensitized and open TRPV3 plotted against the time course of MD simulation. Note that the closed state shows no permeation, the sensitized state permeates water through the selectivity filter only and the open state permeates water and Na⁺ ions through both selectivity filter and gate. b-g, Averaged MD density distributions (yellow) for non-hydrogen atoms of phosphatidylethanolamine (PE, b), phosphatidylinositol (PI, c), phosphatidylserine (PS, d), phosphatidylcholine (PC, e), phosphatidylglycerol (PG, f) and cholesterol (g) lipids nested in the vanilloid site of the closed TRPV3 at the beginning of 500-ns simulations. Black mesh shows cryo-EM density. MD snapshots of lipid molecules and residues coordinating their heads are shown in sticks. Chemical structures of the lipid molecules are shown to the left of each structural panel. The overlap of MD and EM densities are 26% for PE, 30% for PI, 36% for PS, 30% for PC, 33% for PG and 24% for cholesterol, calculated by multiplying the overlapping volume of MD and cryo-EM densities by two and dividing by their sum.