High-resolution structure of an extended A-tract: [d(CGCAAATTTGCG)]2

J Am Chem Soc. 2004 Dec 1;126(47):15330-1. doi: 10.1021/ja045207x.

Abstract

The crystal structure of [d(CGCAAATTTGCG)]2 has been determined to 1.5 A resolution, representing the first high-resolution structure of this DNA fragment. The ion interactions are novel. A spermine molecule replaces a Mg2+ observed in analogous structures. Unlike lower-resolution structures, the minor groove is narrow and the major groove lacks extra Watson-Crick hydrogen bonds. In addition, a monolayer of solvent sites, including a "spine of hydration", is visible in the minor groove. The crystal of [d(CGCAAATTTGCG)]2 was grown from a solution containing spermine, magnesium, and lithium. The conformation recapitulates that of "monovalent-minus" DNA.

Publication types

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

MeSH terms

  • Adenine / chemistry
  • DNA / chemistry*
  • Hydrogen Bonding
  • Lithium / chemistry
  • Magnesium / chemistry
  • Nucleic Acid Conformation
  • Oligonucleotides / chemistry*
  • Thymine / chemistry

Substances

  • Oligonucleotides
  • DNA
  • Lithium
  • Magnesium
  • Adenine
  • Thymine

Associated data

  • PDB/1S2R