Figure 3.

Structure of NQO2 in complex with imatinib. A) Cartoon representation of the NQO2 dimer bound to imatinib. The two monomers (colored green and orange) are related by a crystallographic two-fold axis of rotation. B) Difference electron density (contoured at 3.0 σ) from a map calculated with the imatinib ligand removed is shown over the refined model of the imatinib-bound NQO2. In each panel, the FAD and imatinib molecules are depicted as yellow and blue stick figures, respectively; carbon is colored yellow (FAD) or light blue (imatinib); nitrogen, blue; oxygen, red; phosphorus, orange. Bound zinc ions are shown as grey spheres.