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. 2017 Mar 27;8(20):33225–33240. doi: 10.18632/oncotarget.16600

Figure 3. Illustration to show the conformations obtained by docking compound 7 and comp#1, respectively, to CDC25B.

Figure 3

(A) The compound 7 (green) and comp#1 (magenta) bound to CDC25B:CDK2/Cyclin A. (B) Interactions of compound 7 (green) and comp#1 (magenta) with active site amino acids of CDC25B protein. (C) The ligand-protein interaction diagram of compound 7 with CDC25B (PDB ID: 4WH9). (D) The ligand-protein interaction diagram of comp#1 with CDC25B (PDB ID: 4WH9). The CDC25B protein was shown in yellow color solid ribbon while CDK2/Cyclin A protein was in cyan. The blue and green dotted lines indicated the H-bond interactions of the receptor with compound 7 and comp#1, respectively. Pi interactions were represented by an orange line. Residues involved in hydrogen-bond, charge or polar interactions were represented by pink rectangles. Residues involved in van der Waals interactions were represented by green rectangles.