Cation exchange in lipophilic G-quadruplexes: not all ion binding sites are equal

J Am Chem Soc. 2006 Nov 29;128(47):15269-77. doi: 10.1021/ja064878n.

Abstract

Lipophilic guanosine derivatives that form G-quadruplexes are promising building blocks for ionophores and ion channels. Herein, cation exchange between solvated cations (K+ and NH4+) and bound cations in the G-quadruplex [G1]16.4Na+.4DNP- was studied by electrospray ionization mass spectrometry and solution 1H, 15N NMR spectroscopy. The ESI-MS and 1H NMR data provided evidence for the formation of mixed-cationic Na+, K+ G-quadruplexes. The use of 15NH4+ cations in NMR titrations, along with 15N-filtered 1H NMR and selective NOE experiments, identified two mixed-cationic intermediates in the cation exchange pathway from [G1]16.4Na+.4DNP- to [G1]16.4NH4+.4DNP-. The central Na+, bound between the two symmetry-related G8-Na+ octamers, exchanges with either K+ or NH4+ before the two outer Na+ ions situated within the C4 symmetric G8 octamers. A structural rationale, based on differences in the cations' octahedral coordination geometries, is proposed to explain the differences in site exchange for these lipophilic G-quadruplexes. Large cations such as Cs+ can be exchanged into the central cation binding site that holds the two symmetry-related C4 symmetric G8 octamer units together. The potential relevance of these findings to both supramolecular chemistry and DNA G-quadruplex structure are discussed.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Binding Sites
  • Cations, Monovalent
  • Cesium / chemistry
  • Cesium / metabolism
  • DNA / chemistry*
  • DNA / metabolism
  • G-Quadruplexes
  • Guanosine / analogs & derivatives*
  • Guanosine / chemistry
  • Guanosine / metabolism
  • Nuclear Magnetic Resonance, Biomolecular
  • Nucleic Acid Conformation
  • Potassium / chemistry*
  • Potassium / metabolism
  • Quaternary Ammonium Compounds / chemistry*
  • Quaternary Ammonium Compounds / metabolism
  • Sodium / chemistry
  • Sodium / metabolism

Substances

  • Cations, Monovalent
  • Quaternary Ammonium Compounds
  • Guanosine
  • Cesium
  • DNA
  • Sodium
  • Potassium