3EY0

A new form of DNA-drug interaction in the minor groove of a coiled coil

3EY0 の概要

• エントリーDOI: 10.2210/pdb3ey0/pdb
• 分子名称: 5'-D(*DAP*DTP*DAP*DTP*DAP*DTP*DAP*DTP*DAP*DT)-3', 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, MAGNESIUM ION, ... (4 entities in total)
• 機能のキーワード: dna drug pentamidine coiled-coil all-at, dna
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 6448.81

構造登録者

Pous, J.,Moreno, T.,Subirana, J.A.,Campos, J.L. (登録日: 2008-10-17, 公開日: 2009-10-27, 最終更新日: 2024-04-03)

主引用文献

Moreno, T.,Pous, J.,Subirana, J.A.,Campos, J.L.
Coiled-coil conformation of a pentamidine-DNA complex
Acta Crystallogr.,Sect.D, 66:251-257, 2010

PubMed Abstract: The coiled-coil structure formed by the complex of the DNA duplex d(ATATATATAT)(2) with pentamidine is presented. The duplex was found to have a mixed structure containing Watson-Crick and Hoogsteen base pairs. The drug stabilizes the coiled coil through the formation of cross-links between neighbouring duplexes. The central part of the drug is found in the minor groove as expected, whereas the charged terminal amidine groups protrude and interact with phosphates from neighbouring molecules. The formation of cross-links may be related to the biological effects of pentamidine, which is used as an antiprotozoal agent in trypanosomiasis, leishmaniasis and pneumonias associated with AIDS. The DNA sequence that was used is highly abundant in most eukaryotic genomes. However, very few data are available on DNA sequences which only contain A.T base pairs.

PubMed: 20179336
DOI: 10.1107/S0907444909055693

実験手法

X-RAY DIFFRACTION (2.52 Å)