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Figure 5
(a) Structure of ENDO-WT complexed with Mg ions and the docking grid. The surface is coloured cyan and the conserved motif is coloured orange. Mg2+ ions are represented as light green spheres. The position of DPBA (1) is shown in the right panel. (b) Selection of the best docking poses of compounds (3) and (4). (c) Enlargement of the best pose on the cavity surface. (d) Enlargement of the best pose with the residues involved in binding. These are coloured according to hydrophobicity from cyan (least) to green (most). (e) Polyacrylamide/8 M urea gels of compounds (3) and (4) (50 µM) incubated with 20 µM protein and 1 µM single-stranded RNA. (f) Quantification of endonuclease activity in the presence of DMSO and compounds (1), (3) and (4).

IUCrJ
Volume 5| Part 2| March 2018| Pages 223-235
ISSN: 2052-2525
https://doi.org/10.1107/S2052252518001021