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. 2023 Jun 6;14:3271. doi: 10.1038/s41467-023-38985-6

Fig. 4. MD simulation study of GPR84 ligand entry.

Fig. 4

a Comparison of ECL2-opening conformation from molecular dynamics (salmon) and ECL2-closed conformation from EM data (cornflower blue) in GPR84. b Key interactions with ECL2 in the ECL2-opening conformation from molecular dynamics stimulation. c Dose-response curves of LY237 in activating GPR84 with point mutations affecting ECL2-opening interactions. Data are shown as mean ± S.E.M. from a minimum of three technical replicates, which performed in triplicates. The representative dose-response curves are shown. d, e Representative capture of the important interactions in intermediate state 1 (d) and intermediate state 2 (e) during LY237 entry. f Dose-response curves of LY237 in activating GPR84 with point mutations involved in interactions in IS1 and IS2 state. Data are shown as mean ± S.E.M. from a minimum of three technical replicates, which performed in triplicates. The representative dose-response curves are shown. Source data are provided as a Source data file.