1S2R

A High Resolution Crystal Structure of [d(CGCAAATTTGCG)]2

Summary for 1S2R

• Entry DOI: 10.2210/pdb1s2r/pdb
• Descriptor: 5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3', SPERMINE (3 entities in total)
• Functional Keywords: minor groove hydration, dodecamer, dna
• Total number of polymer chains: 2
• Total formula weight: 7729.49

Authors

Woods, K.K.,Maehigashi, T.,Howerton, S.B.,Tannenbaum, S.,Williams, L.D. (deposition date: 2004-01-09, release date: 2005-01-04, Last modification date: 2024-02-14)

Primary citation

Woods, K.K.,Maehigashi, T.,Howerton, S.B.,Sines, C.C.,Tannenbaum, S.,Williams, L.D.
High-resolution structure of an extended A-tract: [d(CGCAAATTTGCG)]2.
J.Am.Chem.Soc., 126:15330-15331, 2004

PubMed 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.

PubMed: 15563130
DOI: 10.1021/ja045207x

Experimental method

X-RAY DIFFRACTION (1.53 Å)