FIGURE 2.
Orientations of NNK (yellow sticks) found in molecules of CYP2A13. A and B, CYP2A13/NNK orientations most consistent with methylene (A) and methyl (B) oxidation, respectively. C, CYP2A13/NNK I422 structure showing with two NNK molecules bound. For all panels, NNK is shown as sticks with yellow carbon atoms, and mesh is the composite omit σA-weighted 2|Fo| − |Fc| electron density contoured at 1.0 σ around NNK.