Figure 4 | Scientific Reports

Figure 4

From: A protein scaffold, engineered SPINK2, for generation of inhibitors with high affinity and specificity against target proteases

Figure 4

X ray crystal structure of KLK4 and its inhibitor, K41043. (a) Structure of the entire KLK4–K41043 complex showing that K41043 interacts with the catalytic pocket residues of KLK4. The light gray semi-transparent surface and cartoon model indicates KLK4; the catalytic residues are colored in blue. The green cartoon indicates K41043. The right figure represents the image on the left turned 90° counterclockwise about the y axis. (b) Details of K41043 interaction at the KLK4 catalytic pocket. K41043 residue Asn23 interacts with the catalytic His71 of KLK4, and K41043 residue Arg24 is deeply buried in the S1 pocket. (c) Structure of K41043 superposed on to wild type SPINK2. The left figure represents the model on the right turned 90° counterclockwise about the y axis. The letter N indicates N-terminus, while C indicates the C-terminus of K41043.

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