Figure 6. In silico docking predicts that all the hits bind MAP2K4's ATP site.

A. An illustration of the Mutation based Induced Fit Docking is shown here with Staurosporine (Orange) and MAP2K4 residues that were mutated temporarily to alanine. Residues in final docked pose, i.e. post-mutation are colored green and those prior to the mutation step are colored in gray; the coordinating magnesium is shown in purple. B. The docked pose of SP600125 (green) with MAP2K4 is shown. The backbone NH of Met181 (blue) is predicted to form a hydrogen bond interaction is similar to one seen with AMP-PNP (orange).