Figure 2. In silico analysis of Δ574–580 new KIT mutation.

(Left) The solvated 3D model of the Imatinib/Δ574–580 complex. The secondary structure of the protein is in ribbon representation (red, α-helices; magenta, β-sheets; gray, turns and coil, while Imatinib is portrayed via its van der Waals surface. Na⁺ and Cl⁻ ions and counterions are shown as purple and green spheres, respectively. Water molecules are depicted as transparent, light blue spheres. Hydrogen atoms are omitted for clarity. Superposition of MD equilibrated snapshots of Δ559 (green) and the Δ574–580 (blue) KIT in complex with Imatinib (center) and details of the corresponding Imatinib binding site (right).