A benchmark driven guide to binding site comparison: An exhaustive evaluation using tailor-made data sets (ProSPECCTs)
Fig 3
Changes in the molecular interaction patterns of dihydrofolate reductase ligands and changes in the binding site upon ligand binding (PDB ID 1ohk, chain A (A and D); PDB ID 4kd7, chain A (B and E); PDB ID 1drf, chain A (C and F)). A-C) Representation of the binding site structures. Figures were generated using UCSF Chimera[60]. D-F) Schematic view of the crucial interactions between protein and ligand. Figures were generated using LigPlot+[69].