Figure 3
From: The good, the bad and the dubious: VHELIBS, a validation helper for ligands and binding sites
Example of a dubious ligand with a bad binding site. Here, we can see a ligand (AZV A 1 in PDB entry 3Q8W [24]) and its binding site from the same analysis as in Figure 2. As can be seen, some residues from this binding site hardly fit their ED (in yellow). The ligand mostly fits its ED, but it still has some discrepancies.