Figure 5. DNA recognition by CT-Ler is dictated by the minor groove width.
(A) Stick representation of Arg90 side chain inserted at the floor of the negatively charged LeeH minor groove. The electrostatic potential of LeeH, calculated in the absence of CT-Ler, is plotted on the LeeH surface. (B) Average minor-groove width (blue) and electrostatic potential in the centre of LeeH minor groove (red). The position of the guanidium group of Arg90 is indicated. (C-D) Helical parameters of LeeH in complex with CT-Ler. Roll and helix twist angles are shown. Dashed lines correspond to values typical of canonical B-DNA [56].