Figure 1 | Scientific Reports

Figure 1

From: Conformational Transitions of the Pituitary Adenylate Cyclase-Activating Polypeptide Receptor, a Human Class B GPCR

Figure 1

The open (G4) and closed (G1-G3) states of PAC1R. (A) Diagram of the PAC1R conformational transition from the MSM and transition-path theory. Vectors (N-to-C of helix 1 in ECD) show the ECD orientations, and the ECD N-term is highlighted with a purple surface. (B) Plots of the ECD tilt angle (θ) against the ECD-7TM distance. Starting points are labelled with larger markers. (C) The “zipper” between res. 80–91 and ECL3 in the open state. Key polar and hydrophobic side chains are shown in stick and sphere respectively. (D) Time evolution of the number of H-bonds defined in (C). The curves of G1-G3 mostly overlap. The styles of all figures in this work are consistent with Fig. 1.

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