Selectivity by Small-Molecule Inhibitors of Protein Interactions Can Be Driven by Protein Surface Fluctuations
Fig 2
Bcl-2 family members recognize different inhibitors using distinct surface pockets.
In all cases color gradient indicates the similarity between complexes, expressed as Z-scores (green are most similar, red are most dissimilar). (A) Chemical similarity of the inhibitors. (B) Three-dimensional similarity of the inhibitors’ active conformation. (C) Similarity of protein surface pockets, measured using exemplar similarity. Numbering in all cases corresponds to complexes in S1 Table. A representative subset of the complexes are included in this figure; a corresponding figure containing all available complexes is available as S2 Fig.