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. 2009 Aug 28;5(8):e1000487. doi: 10.1371/journal.pcbi.1000487

Figure 5. MD simulations of the ABL kinase domain in the active form.

Figure 5

Upper Panel: (A) The RMSD fluctuations of Cα atoms and (B) the RMSF values of Cα atoms from MD simulations of ABL-WT (in blue), ABL-T315I (in red), and ABL-L387M (in green). MD simulations were performed using the active form of the ABL kinase domain. Legends inside the figure panels refer to the pdb entries used in MD simulations. Lower Panel: Color-coded mapping of the averaged protein flexibility profiles (RMSF values) from MD simulations of the ABL-WT and ABL mutants. This mapping is presented for ABL-WT (C), ABL-T315I (D) and ABL-L387M (E). The color-coded sliding scheme is the same as was adopted for Figure 3.