A Role for Both Conformational Selection and Induced Fit in Ligand Binding by the LAO Protein
Figure 5
Structural comparisons between encounter complex and X-ray apo (or open) and bound (or closed) structures for the LAO protein.
The X-ray apo (PDB ID: 2LAO) and bound structure (PDB ID: 1LAF) are shown in green and light blue respectively. Three representative conformations from the encounter complex state are superimposed and shown in red. These three conformations are representative of 10,000 randomly selected conformations from the encounter complex state (i.e. they have the smallest protein Cα RMSD to all the rest of the randomly selected conformations and are, therefore, the most central/typical of the state). In the right panel, the open, closed X-ray structures are overlaid with one of the representative conformations from the encounter complex state.