Figure 9.
Protein (blue) compound (orange) interactions of selected compounds. Blue lines mark hydrogen bonds, dashed orange lines mark pi-cation interactions, dashed yellow lines mark salt bridges, and dashed grey lines mark hydrophobic interactions. Residues are indicated in red. The three-letter codes refer to PDB chemical ids. Interacting proteins from left to right are: SET domain lysine methyltransferases (UniProt: Q43088), aspartokinase (UniProt: P9WPX3), and acetylcholinesterase (UniProt: P04052). The triple hydrogen motif is present in multiple predictions as well as in 35 out of 471 Mpro complexes in PDB.