Fig. 2.

MCC950 binds the central cavity in the NACHT domain. (A) Protomer structure of the human NLRP3ΔP hexamer. Each domain is shown in different colors according to the color scheme shown in Fig. 1A. ADP and MCC950 molecules are shown as yellow and pink sticks with semitransparent surfaces, respectively. (B) Surface model of the protomer structure in the human NLRP3ΔP hexamer showing the MCC950 binding cavity formed between NBD, HD2, and LRR. (C) Close-up view of the MCC950 binding site. MCC950 and ADP molecules and the side chains of residues surrounding MCC950 are shown in stick models. Hydrogen bond or ionic interactions are indicated by dashed lines. The Walker A motif is highlighted in red.