Figure 2.

The antiviral compound binding site. (A) An electron density section for the HRV16 + compound 1 complex contoured at a 2σ level, with the atomic model for compound 1 shown in the middle. (B) An electron density section for the HRV16 + compound 3 complex contoured at a 2σ level, with the atomic model for compound 3 shown in the middle. (C) Schematic representation of the WIN binding pocket in VP1 calculated with the molscript program (43). The side chains of all residues that have at least one atom lying within 4 Å of the WIN compounds are shown in black lines. Compound 1 is shown in ball-and-stick representation. A single water molecule, shown as a red sphere, lies within 4 Å of the compound. Two residues in the binding pocket are contributed by VP3. The green represents a portion of VP3 from a symmetry-related protomer.