Fig. 7.
Docking of AS in the CYP2U1 3D model, from [47]. Poses illustrating the two most energetically favored situations. In the pose on the left, the Ala352 backbone C=O group interacts with the phenol-OH group (C=O···HO distance 2.2 Å). In the pose on the right, the indole N-atom is at 4.1 Å from the heme-FeIII atom. The BC loop is colored blue, the helix F grey, helix G green, and helix I yellow. The heme (orange) and AS (pink) are shown in stick representation, with N atoms blue and O atoms red