Figure 5

A–D HADDOCK models of different double-stranded nucleic acids in the crystal structure of pig cGAS are shown (the cGAS structure is based on the cGAS:dsDNA PDB ID 4KB6). The DNA strand is shown in green, whereas the RNA strand is depicted in pink. (A) dsDNA bound to cGAS (PDB ID 4KB6). (B, C) Best docking results of an RNA:DNA hybrid in two different orientations (PDB ID 4KB6 chain A) into cGAS are depicted. Hybrid molecules have been located in the cleft formed by the Zn-thumb and Arg150 of cGAS. (D) The best docking solution of dsRNA into the dsDNA binding region of cGAS.

E, F Cartoon and surface representation of superposition of dsDNA (blue), DNA:RNA hybrid (green) and dsRNA (yellow) molecules based on published structures.