Supplementary data to "Factors modulating the assembly of human β2-adrenergic receptor-β-arrestin complexes"

GROMACS simulation files, initial and final snapshots (all atoms) as well as simulation trajectories (proteins, ligands, membrane) of (i) beta-arrestin 2 (barr2) in inactive and active form interacting with a membrane with or without PIP2 lipids, (ii) beta2-adrenergic receptor activated by adrenaline and either phosphorylated on S355 and S356 or not, each embedded in a membrane with or without PIP2, (iii) tail complex type of beta2-adrenergic receptor inactivated by ICI, phosphorylated on S355 and S356 in complex with active beta-arrestin2 in membranes with or without PIP2 (iv) core complex type of beta2-adrenergic receptor activated by adrenaline (ADR) with active beta-arrestin2 inserted by its fingerloop in the receptor core, in membrane with or without PIP2, (vi) tail-core complex of beta2-adrenergic receptor activated by adrenaline (ADR) and phosphorylated on S355 and S356 with beta-arrestin2 bound to both, the receptor core and the phosphorylated C-tail, in membrane with or without PIP2.

Source data for Main Figures, Extended Data and for Supplementary Information. In detail Experimental_Raw_Data_Supplementary_Figures.tar.gz contains source files for Supplementary Figures 1, 4, 6-11, rmsd_data_4_plots.tar.gz contains source files for Supplementary Figures 13-18, 27-30, 41-44, pca_plots.tar.gz contains source files for Supplementary Figures 19-26, interactionenergy-arrestin-membrane_plots.tar.gz contains source files for Supplementary Figures 31-36, arrestin-Cedge-fingerloop-membranebindingprobabilities_plots.tar.gz contains source files for Supplementary Figures 37-40, TM3-TM6-distance-B2ARonly_plots.tar.gz contains source files for Supplementary Figures 45-48, B2AR_ICL3-membrane-binding-probabilities_plots.tar.gz contains source files for Supplementary Figures 49-56.