Fig. 7.

2D (two-dimensional) ligand-protein interaction diagrams for the binding site of APN with hits 2 and 3. (A) Hit 2. (B) Hit 3. The active site residues are represented as follows: polar residues in light purple, hydrophobic residues in green, acidic residues with a red contour ring, basic residues with a blue contour ring. Green and blue arrows indicate hydrogen bonding to side chain and backbone atoms respectively. The cation-π stacking interactions are represented in green dotted lines. Light-blue “halos” around residues indicate the degree of interaction with ligand atoms (larger and darker halos means more interaction). (For interpretation of the references to color in this figure legend, the reader is referred to the web version of this article.)