Figure 6.

Overlay of the flexible residues in the binding sites of the NSC109555-bound crystal structure (green, PDB ID: 2W0J) and ligand 30-induced protein structure (purple). Shown is (A), the CHK2 binding site highlighting residues which adopt a different conformation in the ligand 30-induced protein structure (purple) and (B), a cut away depiction highlighting residues which adopt a different conformation in the ligand 30-induced protein structure (purple) versus the parent crystal structure (green, PDB ID: 2W0J); arrows indicate side chains that have changed conformation significantly. The ligand pose is taken from the ligand 30-induced conformation.