Figure 7.

Structural fold of AhR models. To the left: Superimposed are the initial homology model, the refined AhR model and a molecular dynamic simulation snapshot at 230 ns. To the right: Close-up view of the simulation snapshot at 230 ns, displaying the ligand and AhR residues involved in an interaction network, as discussed in the text. 20S,23S(OH)₂D3 is shown with carbon atoms colored light brown, AhR residue carbons colored green; all other atoms are colored by atom type (O: red, N: blue, S: yellow). Hydrogen bonding interactions are indicated with yellow spheres.