Fig. 3

The orientation of FAD docked into the putative active site of SMO (PDB ID: 3IHM). a The structure of wild-type SMO (Residue D305G is shown in red of the circle). b The structure of the D305G mutant. c The channel that interacts with FAD. d The channel of residues in the internal structure. The positions of residues predicted to interact with FAD are shown in yellow (the residues Leu45, Val48, Val170, Val211, Leu269, Glu271, Glu272, Glu271, Glu272, Glu213, and Pro302). FAD is shown in orange by the stick mode. The figure was generated using Autodock 4.0 and displayed by Pymol. The number of Autodock 4GA runs was increased from 20 to 40, the docking grids were set as 20 × 22 × 22 Å for styrene and 27 × 30 × 28 Å for flavine adenine dinucleotide