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. Author manuscript; available in PMC: 2022 Sep 30.
Published in final edited form as: J Phys Chem Lett. 2021 Sep 20;12(38):9293–9300. doi: 10.1021/acs.jpclett.1c02162

Figure 3.

Figure 3.

(A) The 100 ns equilibrated structure of the TAS2R5-GiP complex with bound T5–8 agonist. (B) The RMSD for backbone atoms from 100 ns MD simulations (reference to the final structure). Important polar interactions at three anchors: (C) Anchor 1: ICL1 with Gβ, (D) Anchor 2: ICL2 and GαN, and (E) Anchor 3: ICL3 and Gα. (F) Polar interactions between the Gα5 helix of the Gα subunit with the intracellular region of TAS2R5.