Figure 2.

(A) Three-dimensional model of the AT1001-Mpro interactions. Superimposition of AT1001 with N3 (B) and 13b (C) into the catalytic site. The enzyme is represented by green tubes (A) and gray ribbons (B,C), and is colored for the following atoms: polar H, white; N, dark-blue; O, red; S, yellow. All ligands are depicted by sticks (purple for AT1001, green for N3, orange for 13b) and balls (colored by atom type: polar H, white; O, red). The C atoms of the ligands are colored as for the sticks. The black and pink dashed lines indicate hydrogen and ionic interactions, respectively.