Fig_3.tif (1.54 MB)
Free energy of the DFG flip transition.
figure
posted on 2015-11-25, 03:24 authored by Silvia Lovera, Maria Morando, Encarna Pucheta-Martinez, Jorge L. Martinez-Torrecuadrada, Giorgio Saladino, Francesco L. GervasioFree energy surfaces of Abl, Src (adapted from Ref. [29]), and Abl drug-resistant mutants projected on the distances between DFG Asp404 and Lys295 (CV1) and DFG Phe405 and Ile293 (Leu137 in Src) (CV2). The free energy minima corresponding to DFG-in conformations are labeled “IN”, while “OUT” correspond to DFG-out conformations. The contour lines are drawn every 1 kcal/mol.
