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Coupling Protein Side-Chain and Backbone Flexibility Improves the Re-design of Protein-Ligand Specificity

Fig 1

Structures of wild-type and mutant binding sites for known specificity altering mutations.

Close-up images of the substrate binding sites for the ten enzymes in our benchmark with known specificity altering mutations are shown in stick representation. The PDB IDs of the wild-type (green) and mutant (orange) structures are displayed in each panel.

Fig 1