Extended Data Fig. 6: MD simulations of cholesterol binding in mTRPV2CHL structure with E2 added.
From: Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands
a, The ensemble plot of the 200 ns simulation time, E2 molecules (as denoted by its oxygen atom as a sphere in red) participated within the membrane (region shaded in grey). b, RMSD of mTRPV2CHL added E2 is also plotted against simulation time in three independent all-atom MD trajectories. c, The probability distribution of distance between cholesterol and VBP residues (measured at center of mass in Y466, L470, L477, S498 and L502).
