Figure 3
From: How phosphorylation influences E1 subunit pyruvate dehydrogenase: A computational study
(A) Backbone RMSD calculated with respect to the starting coordinates of the WT protein over the entire MD simulations. WT (violet) and the three phosphorylated species, Ser-264-α-P (light blue), Ser-271-α-P (orange), and Ser-203-α-P (green)). (B) Binding site RMSD (His63-α, Met200-α, His263-α, Phe61-α, Tyr89-α, Met82-β) calculated for the entire residues (backbone + sidechains) over the entire simulation time. WT (violet) and the three phosphorylated species Ser-264-α-P (light blue), Ser-271-α-P (orange), and Ser-203-α-P (green).
