Figure 5.

Olaparib energetics when bound to PARP1 or TNKS1. The two olaparib conformational states (bound to PARP1 in green and bound to TNKS1 in orange) are superposed on top. The energy profiles of two torsion angles are shown, which have lower energy in the PARP1-bound conformation (green, left), relative to the TNKS1-bound conformation (orange, right). The torsional energies of the other rotatable bonds are very similar in the two conformers. PARP1, poly(ADP-ribosyl) polymerase 1; TNKS1, tankyrase1.