Figure 6.

Snapshot showing disposition of cholesterol with h6o in all atom simulation (A), and distance between cholesterol and h6o residues during all-atom simulation (B). A snapshot of cholesterol interacting with h6o in the all-atom simulation of the receptor bound to ZM241385 is shown in (A). All labeled residues are also observed to interact with cholesterol in several crystal structures of the receptor bound to ZM241385. Note the position of S263, interacting with the hydroxyl, shown in red. The methyl groups of the β-face are shown in black. (B) shows the distance between the nearest cholesterol atom and each heavy atom of the residues (in nm, scale bar on the right) indicated in the (A) over the entire simulation. Two interaction events are indicated with horizontal black arrows, the backbone of the protein is indicated with dashes, and the side chains with solid vertical lines. To see this figure in color, go online.