A Comprehensive Survey of Small-Molecule Binding Pockets in Proteins
Figure 4
Violin plot of chemical similarity of ligands found in structurally similar pockets.
(A) All 7 million pairs of pockets at PS-score P-values<0.05 are considered. The x-axis labels mark similarity regimes for pocket pairs considered. (B) The subset of pocket pairs from proteins with low pairwise global structural similarity at the TM-score <0.4. A Violin plot is derived from a boxplot by scaling the width of the box such that the area is proportional to the number of pairs of ligands observed. The white bars range from 25th to 75th percentile, and the whiskers extend to a distance of up to 1.5 times the interquartile range. The red spheres represent the medians.