FIGURE 8.

Binding modes of pyrin PYD with ASC PYD. A–C, models of ASC-pyrin PYD complexes generated using HADDOCK. In A, the active residue defined on pyrin PYD was site 1 (Glu¹⁴), and the active residues defined on ASC PYD were Lys²¹ and Arg⁴¹. In B, the active residues defined on pyrin PYD were site 2 (Lys²⁵ and Arg⁴²), and the active residues defined on ASC PYD were Asp¹⁰, Glu¹³, Asp⁴⁸, Asp⁵¹, and Asp⁵⁴. In C, the active residues defined on pyrin PYD were site 3 (Arg⁷⁵ and Arg⁸⁰), and the active residues defined on ASC PYD were Asp¹⁰, Glu¹³, Asp⁴⁸, Asp⁵¹, and Asp⁵⁴. D, the pyrin PYDs in the different models shown in A–C were superimposed to visualize how the three interaction sites on pyrin PYD may interact with multiple ASC PYDs. In all models, acidic residues are indicated in red, and basic residues are indicated in blue.