Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch

Nature. 2012 May 13;486(7401):85-9. doi: 10.1038/nature11152.

Abstract

Significant advances in our understanding of RNA architecture, folding and recognition have emerged from structure-function studies on riboswitches, non-coding RNAs whose sensing domains bind small ligands and whose adjacent expression platforms contain RNA elements involved in the control of gene regulation. We now report on the ligand-bound structure of the Thermotoga petrophila fluoride riboswitch, which adopts a higher-order RNA architecture stabilized by pseudoknot and long-range reversed Watson-Crick and Hoogsteen A•U pair formation. The bound fluoride ion is encapsulated within the junctional architecture, anchored in place through direct coordination to three Mg(2+) ions, which in turn are octahedrally coordinated to water molecules and five inwardly pointing backbone phosphates. Our structure of the fluoride riboswitch in the bound state shows how RNA can form a binding pocket selective for fluoride, while discriminating against larger halide ions. The T. petrophila fluoride riboswitch probably functions in gene regulation through a transcription termination mechanism.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Base Sequence
  • Binding Sites
  • Cations, Divalent / chemistry*
  • Fluorides / chemistry*
  • Fluorides / metabolism*
  • Gene Expression Regulation, Bacterial
  • Gram-Negative Anaerobic Straight, Curved, and Helical Rods / genetics*
  • Ligands
  • Magnesium / chemistry*
  • Models, Molecular
  • Nucleic Acid Conformation
  • Nucleotide Motifs
  • Phosphates / chemistry*
  • Phosphates / metabolism
  • Riboswitch / genetics*
  • Structure-Activity Relationship
  • Substrate Specificity
  • Water / chemistry
  • Water / metabolism

Substances

  • Cations, Divalent
  • Ligands
  • Phosphates
  • Riboswitch
  • Water
  • Magnesium
  • Fluorides

Associated data

  • PDB/3VRS
  • PDB/4EN5
  • PDB/4ENA
  • PDB/4ENB
  • PDB/4ENC