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. Author manuscript; available in PMC: 2022 Jun 23.
Published in final edited form as: Nat Chem Biol. 2021 Dec 23;18(3):272–280. doi: 10.1038/s41589-021-00929-w

Extended Data Fig. 1. Close-up view of the pocket at the EC vestibule.

Extended Data Fig. 1

The pocket is lined by TM1 (red) and TM2 (cyan). Essential residues R1811.33b and Y2452.72b, whose interaction with ligands is predicted to affect the global dynamics of the overall PTHR, are shown in yellow sticks. Two additional residues, D252ECL1 and F1841.36b are also shown, which may help attract or coordinate the ligands through electrostatic interactions. The role of F184 in complementing R1811.33b and Y2452.72b to line a druggable pocket is further corroborated by druggability simulations.