Figure 4.

The interactions between our TMPRSS2 homology model and docked chemical structure for Otamixaban. Otamixaban blocks access to the catalytic triad (His 41, Asp 180, Ser 186) by forming a pi stacking interaction with His 41, salt bridges with Glu 44, Lys 45, and hydrogen bonds with Asp 180, Gln 183, and Gly 209. The hydrogen bonding interaction between the Asp 180 and the amidine group of Otamixiban is similar to the interaction between Benzamidine and Plasma Kallikrein in template structure 2ANY.