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. 2024 Sep 17;15:8173. doi: 10.1038/s41467-024-52235-3

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© This is a U.S. Government work and not under copyright protection in the US; foreign copyright protection may apply 2024

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Fig. 2 — A, B Overall structure of the complexes with ligands 4 (A) and 8 (middle). C Comparison of binding poses between 4 and PreQ₁. D Structural comparison between the wild-type Tte-PreQ₁ riboswitch aptamer complexed with PreQ₁ (PDB ID: 3Q50)⁷⁰, (E) ab13_14_15 complexed with 4 and (F) ab13_14_15 in complex with 8. Hydrogen bonds are shown in dashed lines. Purple mesh represents the mF_o-DF_c electron density maps observed for each ligand, which are contoured at 2.5 σ. The compounds were omitted from the phase calculation. The distances between the oxygen atom of the central ring of 4 and the N6 atom of A29, the carbonyl group of 4 and 2’-OH group of G11, and the amine of the pyrrole ring of 8 and 2’-hydroxyl group of G11 are 3.63, 3.75, and 3.66 Å, respectively.