Fig. 5.

Auto-deimination induces conformational changes of the PAD3 active site. Zoom, from topological models of PAD3, on the four amino acids (as indicated on the left panel) involved during catalysis in the active site: left panel, from “empty” PAD3 model (from WD8) with 39 Arg; middle panel, from “full” PAD3 model (from WDA) with 39 Arg; right panel, from “full” PAD3 model (from WDA) with Cit instead of the most solvent accessible Arg (accessibility ≥ 40%). Distances calculated between the atoms of the four major reactive amino acids, as indicated, are reported in Å