1Z5T

Crystal Structure of [d(CGCGAA(Z3dU)(Z3dU)CGCG)]2, Z3dU:5-(3-aminopropyl)-2'-deoxyuridine, in presence of thallium I.

1Z5T の概要

• エントリーDOI: 10.2210/pdb1z5t/pdb
• 分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*(ZDU)P*(ZDU)P*CP*GP*CP*G)-3', SPERMINE, THALLIUM (I) ION, ... (4 entities in total)
• 機能のキーワード: b-dna, tl+, thallium, modified dna, cations, modified thymine, dna
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 9538.80

構造登録者

Moulaei, T.,Maehigashi, T.,Lountos, G.T.,Komeda, S.,Watkins, D.,Stone, M.P.,Marky, L.A.,Li, J.S.,Gold, B.,Williams, L.D. (登録日: 2005-03-19, 公開日: 2005-07-26, 最終更新日: 2024-04-03)

主引用文献

Moulaei, T.,Maehigashi, T.,Lountos, G.T.,Komeda, S.,Watkins, D.,Stone, M.P.,Marky, L.A.,Li, J.S.,Gold, B.,Williams, L.D.
Structure of B-DNA with cations tethered in the major groove.
Biochemistry, 44:7458-7468, 2005

PubMed Abstract: Here, we describe the 1.6-A X-ray structure of the DDD (Dickerson-Drew dodecamer), which has been covalently modified by the tethering of four cationic charges. This modified version of the DDD, called here the DDD(4+), is composed of [d(CGCGAAXXCGCG)](2), where X is effectively a thymine residue linked at the 5 position to an n-propyl-amine. The structure was determined from crystals soaked with thallium(I), which has been broadly used as a mimic of K(+) in X-ray diffraction experiments aimed at determining positions of cations adjacent to nucleic acids. Three of the tethered cations are directed radially out from the DNA. The radially directed tethered cations do not appear to induce structural changes or to displace counterions. One of the tethered cations is directed in the 3' direction, toward a phosphate group near one end of the duplex. This tethered cation appears to interact electrostatically with the DNA. This interaction is accompanied by changes in helical parameters rise, roll, and twist and by a displacement of the backbone relative to a control oligonucleotide. In addition, these interactions appear to be associated with displacement of counterions from the major groove of the DNA.

PubMed: 15895989
DOI: 10.1021/bi050128z

実験手法

X-RAY DIFFRACTION (1.6 Å)