Figure 5
From: Computational and NMR studies of RNA duplexes with an internal pseudouridine-adenosine base pair
Change in the hydration pattern upon U to Ψ modification for duplex-CΨG and duplex-CUG. RDFs of water oxygen atoms (a) around the HN1-Ψ5 and H5-U5 atoms, respectively; (b) around the geometric center of the OP2-Ψ5 and HN1-Ψ5 atoms or OP2-U5 and H5-U5 atoms. Red – Ψ-modified duplexes; Black – unmodified duplexes. Water occupancy contoured at equivalent levels and hydrogen bonding patterns (in dotted lines) viewed from the major groove. (c) Reference duplex-CUG; (d) Ψ-modified duplex-CΨG; differences in hydration patterns are shown in solid. (e) Snapshot of two water molecules making contact between HN1, OP2 atoms of Ψ and OP2 atom of the preceding residue.
