Figure 7.

(A) The packing interface for A_2AR crystallized in the C222₁ space group. An A_2AR monomer in the 5MZP structure is shown (ribbons; tan), together with the two neighboring molecules that pack to give a layer structure (ribbons; orange and yellow). A_2AR monomers are separated by cholesterols (spheres) packed at the protein-protein interfaces; the four cholesterols per monomer resolved in this structure are colored by the monomer to which they belong, and binding sites A–D are labeled as in Table S1. The position of the interface on the EC side as predicted by OPM is shown by the red bar. (B) The surface of an A_2AR monomer is shown on the EC side of the membrane for the 4EIY structure, with the crystallographic cholesterol molecule at site B (Table S1) shown in orange (ball and stick). The pose in cluster f (Fig. 6 C) is shown in blue (ball and stick). Residues identified as being both part of cholesterol binding site IS2 predicted in MD simulations (36) and as being adjacent to the pose (blue) are shown in yellow. Residues that are only part of site IS2 are shown in light blue, and residues that are only adjacent to the pose are shown in green. To see this figure in color, go online.