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. Author manuscript; available in PMC: 2018 Jun 11.
Published in final edited form as: J Med Chem. 2008 Jan 18;51(3):603–611. doi: 10.1021/jm070910s

Figure 1.

Figure 1

Overlap of the two selected receptor conformations highlighting those side chains in the binding site that differ most substantially between the two sites. The position of the receptors relative to one another was determined by calculating the minimum RMSD of the alpha carbon atoms of residues in the binding pocket. Side chains that are colored by atom type belong to the receptor preferred by ligands that do not contain a benzenesulfonyl group (green ribbon). Side chains that are colored either red (RMSD ≥2.0 Å) or yellow (1.0 Å ≥ RMSD > 2.0 Å) belong to the receptor selected for the ligands that do contain a benzenesulfonyl group (purple ribbon). The conformations of other side chains in the binding site differed between the two receptors, but to a smaller degree. These have been omitted for clarity.