Figure 7
Nucleoside binding in Pocket C and possible RNA structure bound to the Nsp15 hexamer. (a) The best compound identified by Glide (CAS RN®: 69301-99-1. 1H-Purine-6,8-dione, 9-β-D-arabinofuranosyl-7,9-dihydro-, 8-hydrazone) and surrounding residues. The orientation is slightly changed from Fig. 6e to better show coordination of the surrounding residues. The 5′-carbon of the ribose ring is indicated by a red arrow. (b) Spatial arrangement of the UTP binding site and alternative nucleotide binding site (Pocket C) mapped onto UTPH. The residues shown in yellow are HIS235, HIS250, LYS290, SER294, and TYR343, and those shown in orange are those presented in (a). (c) A representative tridecaU RNA structure bound to the Nsp15 hexamer after 100 ns equilibration by MD. The coloring is the same as in (b). (a and c) were created using Chimera63 and NGLview64, respectively.
