MD simulations of KIT cytoplasmic region in the auto-inhibited inactive form.

The RMS deviations (in Å) were calculated from MD simulations of full-length CR for wild-type KIT, WT547-935 (in blue), and D816V mutant, MU547-935 (in red), on the backbone atoms of (a) the whole CR, (b) N-lobe, (c) C-lobe, (d) A-loop and (e) JMR. The 50-ns simulations 1 and 2 of the wild-type (mutant, respectively) are shown by plain and dashed lines. The dashed grey vertical line drawn at 2 ns indicates the relaxation time.