4XSN

Copper(II) bound to the Z-DNA form of d(CGCGCG)

4XSN の概要

• エントリーDOI: 10.2210/pdb4xsn/pdb
• 関連するPDBエントリー: 4XQY 4XQZ
• 分子名称: DNA (5'-D(*CP*(BGM)P*CP*GP*CP*GP)-3'), COPPER (II) ION (3 entities in total)
• 機能のキーワード: z-dna, copper(ii), dna
• 由来する生物種: synthetic construct
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 3841.75

構造登録者

Rohner, M.,Medina-Molner, A.,Spingler, B. (登録日: 2015-01-22, 公開日: 2016-02-03, 最終更新日: 2024-05-08)

主引用文献

Rohner, M.,Medina-Molner, A.,Spingler, B.
N,N,O and N,O,N Meridional cis Coordination of Two Guanines to Copper(II) by d(CGCGCG)2.
Inorg.Chem., 55:6130-6140, 2016

PubMed Abstract: Many research groups study the generation of supramolecular n-dimensional arrays by combining metals with DNA building blocks. Most of the time, the natural nucleobases are modified to obtain higher-affinity metal binding sites. Using unmodified nucleobases avoids a potentially difficult synthesis; however, they have the possible disadvantage of a less defined and/or weaker coordination mode of the metal. Structural studies on the behavior of copper(II) as a linking metal and guanine as the natural ligand for metals in unmodified DNA are reported. Previously, the ability of mono- and dinuclear metal complexes to induce Z-DNA has been explored [Medina-Molner, A.; Spingler, B. Chem. Commun. 2012, 48, 1961; Medina-Molner, A.; Rohner, M.; Pandiarajan, D.; Spingler, B. Dalton Trans. 2015, 44, 3664]. Herein, X-ray crystallographic studies of the structures resulting from the combination of copper(II) ions with DNA hexamers of the general sequence d(CG)3 are presented. Three different packing motifs were observed in three crystal structures with resolutions ranging from 2.15 to 1.45 Å. The motifs are dependent upon other cations being present and/or the crystallization conditions. The first examples of intramolecular O6,N7-chelates of a neutral purine nucleobase to copper(II) were obtained as well as the first meridional N,N,O and N,O,N coordination modes of two guanines to copper(II). The fascinating coordination chemistry of copper(II) complexes generated by the Z-DNA oligonucleotides and the differences to simple nucleobases complexes with copper(II) are discussed in detail.

PubMed: 27266259
DOI: 10.1021/acs.inorgchem.6b00672

実験手法

X-RAY DIFFRACTION (1.452 Å)