Fig. 6.

CYP2D6 active centre. The full cytochrome P450 (WT) structure is displayed on the left hand side, and a magnified view of the active centre is shown on the right hand side. Propranolol (R-PPD) is in black, heme in purple, and amino acids with significant interactions are shown in colours according their position in the sequence. Dashed lines in grey represent the distances measured in the geometric analysis (PHE483-PPD, PPD-GLU216, and heme-PPD). The PPD head–tail polar group distance, the chiral dihedral, and the head torsion are shown in orange, red, and green respectively, and the F483 ring torsion is shown in yellow