Figure 5

Backbone analysis of ERα crystal structures. Structural analysis of the ERα crystal structures in the PDB was performed using RMSD. Protein IDs 1-57 represent the agonist-bound conformations while 58-80 represent antagonist-bound structure according to the literature. A number of structures in both agonist-bound and antagonist-bound categories have been found to deviate from the norm, displaying characteristics which more resemble those of the other category. The orange circles situated at the top of the figure denote the incorrectly predicted ligands with their associated PDB ID. The two chosen protein conformations i.e. agonist structure (PDB ID: 1GWR) and antagonist structure (PDB ID: 3ERT), with a RMSD of 4.687 between each other, are also shown.