Crystallization and characterization of the thallium form of the Oxytricha nova G-quadruplex

The crystal structure of the Tl⁺ form of the G-quadruplex formed from the Oxytricha nova telomere sequence, d(G₄T₄G₄), has been solved to 1.55 Å. This G-quadruplex contains five Tl⁺ ions, three of which are interspersed between adjacent G-quartet planes and one in each of the two thymine loops. The structure displays a high degree of similarity to the K⁺ crystal structure [Haider et al. (2002), J. Mol. Biol., 320, 189–200], including the number and location of the monovalent cation binding sites. The highly isomorphic nature of the two structures, which contain such a large number of monovalent binding sites (relative to nucleic acid content), verifies the ability of Tl⁺ to mimic K⁺ in nucleic acids. Information from this report confirms and extends the assignment of ²⁰⁵Tl resonances from a previous report [Gill et al. (2005), J. Am. Chem. Soc., 127, 16 723–16 732] where ²⁰⁵Tl NMR was used to study monovalent cation binding to this G-quadruplex. The assignment of these resonances provides evidence for the occurrence of conformational dynamics in the thymine loop region that is in slow exchange on the ²⁰⁵Tl timescale.