Figure 7. Structural model of SmCL3 in complex with the peptidyl vinyl sulfone inhibitor, K11777.

The inhibitor is shown in red and orange; the moiety that interacts with the S2 pocket is in orange. The catalytic Cys¹⁷²and His³¹⁷ residues are colored yellow and blue, respectively. The predicted residues in the deep S2 binding pocket are identical to those in human cathepsin V (used as a template for the model) except for a leucine residue (Leu²¹⁶, colored light green).