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. 2013 Feb 20;8(2):e56150. doi: 10.1371/journal.pone.0056150

Figure 6. Best models of TbLBPK•drug complexes are consistent with affinity chromatography elution data.

Figure 6

(A) Predicted ICM binding scores of lapatinib (red), AEE788 (green) and canertinib (magenta) in the binding pockets of the protein kinases. The dotted line represents a hypothetical cutoff for kinase elution by drug after an NAD+ wash of the affinity column. (B) Predicted binding poses for lapatinib (red), AEE788 (green) and canertinib (magenta) to their highest affinity protein kinases; TbLBPK1, TbLBPK2, and TbCBPK1, respectively. Kinase hinge region is shown in ribbon, ligand atom placement surface is represented by a wire mesh and colored according to its binding properties.