Figure 2: Binding site structure similarity between query protein and off-targets CHEK1 and MAPK14. | Scientific Reports

Figure 2: Binding site structure similarity between query protein and off-targets CHEK1 and MAPK14.

From: Identification of gefitinib off-targets using a structure-based systems biology approach; their validation with reverse docking and retrospective data mining

Figure 2

The superimposed structures of query and off-target proteins in complex with respective ligands are shown (A,B; top, left panel). The similarity of binding pockets in query (green) and off-targets (cyan) are shown (A,B; top, right panel). The hydrophobic, donor, acceptor, negative and positive binding site probes are shown separately and are represented by cyan, blue, red, magenta and green colored spheres, respectively (A,B; middle and lower panel). Large spheres represent the query binding probe while smaller ones represent the off-targets binding probe.

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