Figure 5

(A) Schematic representation of the bend angle (θ) of helix VI of P2Y1R. (B) Plots of θ in the 300-ns aMD trajectories of the 2MeSADP-P2Y1R, apo-P2Y1R and MRS2500-P2Y1R systems. Snapshots of helix VI extracted from the aMD trajectories of (C) the 2MeSADP-P2Y1R system, (D) the apo-P2Y1R system and (E) the MRS2500-P2Y1R system. The initial structures of helices VI and III are colored in red. The helix VI structures are superimposed on the initial structure with the Cα atoms of residues Leu2546.29 to Leu2886.63.