Exploring E-cadherin-peptidomimetics interaction using NMR and computational studies
Fig 5
Docking preferred binding modes of compound 2 into E-cadherin.
Type A is shown for the ligand charged state (left) and type B for the ligand neutral state. The compound (grey carbon atoms) is displayed into the E-cadherin X-ray structure (PDB code: 3Q2V) superimposed to the DWVI sequence (light blue). Residues of the binding pocket interacting with the ligand are labelled.