Figure 6. Induced-fit binding of I1 to the BoNT/A active site.
View of the binding cleft of the BoNT/A LC (tan surface) in complex with inhibitor I1 (grey sticks). Inhibitor residues are indicated. The induced binding pockets are evidenced by the steric clashes between the apo BoNT/A LC surface (magenta) with some of the inhibitor residues (tryptophan, threonine and leucine) upon superposition (indicated by black ovals).