Figure 5
From: Structural investigation of nucleophosmin interaction with the tumor suppressor Fbw7γ
Molecular dynamics simulations of the interaction between Fbw7γ* and Nter-NPM1 constructs (wild-type and mutants). (a) Root mean square deviation (RMSD) of Nter-NPM1 and Fbw7γ* Cα atoms as a function of simulation time for WT (black line), triple (red), quadruple (green) and quintuple (blue), respectively. (b) Average RMSD (root mean square deviation) of Fbw7γ* as calculated for peptide Cα residues for all simulated systems. Wild-type Nter-NPM1 is shown in black, the triple D36A-E39A-E93A mutant is shown in red, the quadruple D36A-E39A-E93A-E121 mutant is shown in green, the quintuple D36A-D37A-E39A-E93A-E121 is shown in blue. (c) The position of the peptide at selected snapshots along the simulation time is shown. Nter-NPM1 wild-type is shown in gray cartoon, Fbw7γ* is shown as a ribbon colored from blue (simulation start time) to red (simulation end). (d) Same as in c for the interaction between the peptide and the triple D36A-E39A-E93A mutant. (e) Same as in c for the interaction between the peptide and the quadruple D36A-E39A-E93A-E121 mutant. (f) Same as in c for the interaction between the peptide and the quintuple D36A-D37A-E39A-E93A-E121 mutant.
