Figure 5.

Ligand ensembles for three different distances to the binding site, measured by their binding-site RMSD values of 0.8 nm (A), 0.6 nm (B),and 0.3 nm (C). The ligand configurations are drawn as colored sticks, showing their main orientation. The bound ligand configuration is shown in red. With decreasing RMSD, increasing translational and rotational confinement was observed, as described by the funnel model. To see this figure in color, go online.