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. 2012 Jun 14;8(6):e1002565. doi: 10.1371/journal.pcbi.1002565

Figure 4. In active Bax, Arg94 recruits Asp98, destabilizing the C-domain inside the BH groove.

Figure 4

Upon activation, Arg94 becomes more positive, leading to the recruitment of Asp98, abrogation of the Asp98-Ser184 interaction, and ultimately destabilization of the C-domain inside the BH groove [16], [40]. The color coding from Figure 1 is maintained. Additionally, the atoms in residues Arg94, Asp98 and Ser184 are displayed explicitly. Colors are coded according to their EEM charges, where the color scale ranges from red, through green, to blue, as values of atomic charges go from negative to positive. The EEM charges were computed using parameter set RS2-E (see Figures 2 and 3). (A) In inactive Bax, Asp98 is engaged in an interaction with Ser184, which keeps the C-domain in its binding pocket. (B) In active Bax, the now more positively charged Arg94 (see also Table S1) has sequestered Asp98, which no longer contributes to the stabilization of the Bax C-domain in its BH groove.