Fig. 5.

Outline of the hybrid PKA R-subunit initial structures used for MD simulations. (A, B) Fully-inactive structure of the R-subunit (i.e. CBD-A ‘off’/CBD-B ‘off’), without (A) and with (B) bound C-subunit. (C) Fully-active structure of the R-subunit (i.e. CBD-A ‘on’/CBD-B ‘on’). (D-F) Hybrid R-subunit structures, consisting of the inactive CBD-A and active CBD-B (i.e. CBD-A ‘off’/CBD-B ‘on’). (G-I) As in (D-F), but with bound C-subunit. In all structures, the R-subunit and C-subunit residues derived from the inactive structure are shown in red and grey, respectively, while the R-subunit residues derived from the active structure are shown in green. Figures are adapted from Byun JA, Akimoto M, VanSchouwen B, Lazarou TS, Taylor SS, Melacini G. Allosteric pluripotency as revealed by protein kinase A. Sci Adv 2020;6:eabb1250. Reprinted with permission from AAAS. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of this article.)