Fig. 2: Hit 1 binds selectively to P-cadherin.
From: Regulation of cadherin dimerization by chemical fragments as a trigger to inhibit cell adhesion
a Structure of complex of REC12 with Hit 1. Hit 1 is colored orange. b Region of the Hit 1-binding cavity, illustrating the shift in the side chain of Y140 that occurs upon compound binding. 2mFo-DFc map at 0.9 σ level is shown. The P-cadherin monomer (PDB ID; 4zmz) is superposed (purple). c 2D interaction map of Hit 1 made with FLEV58. The reduction of solvent exposure upon Hit 1 binding is indicated by the halo-like disc around the residues. d Superposition of P-cadherin REC12-Hit 1 complex and E-cadherin structure (PDB ID; 2o72, green). e Sensorgram from SPR-based binding assay of WT E-cadherin and E-cadherin N140Y with Hit 1. N = 2.
