5CP6

Nucleosome Core Particle with Adducts from the Anticancer Compound, [(eta6-5,8,9,10-tetrahydroanthracene)Ru(ethylenediamine)Cl][PF6]

5CP6 の概要

• エントリーDOI: 10.2210/pdb5cp6/pdb
• 分子名称: DNA (145-MER), Histone H3.2, Histone H4, ... (10 entities in total)
• 機能のキーワード: nucleosome core particle, antitumour compound, structural protein-dna complex, structural protein/dna
• 由来する生物種: Xenopus laevis (African clawed frog); 詳細
• 細胞内の位置: Nucleus: P84233 P62799 P02281
• タンパク質・核酸の鎖数: 10
• 化学式量合計: 199584.29

構造登録者

Ma, Z.,Adhireksan, Z.,Murray, B.S.,Dyson, P.J.,Davey, C.A. (登録日: 2015-07-21, 公開日: 2016-06-01, 最終更新日: 2023-11-08)

主引用文献

Ma, Z.,Palermo, G.,Adhireksan, Z.,Murray, B.S.,von Erlach, T.,Dyson, P.J.,Rothlisberger, U.,Davey, C.A.
An Organometallic Compound which Exhibits a DNA Topology-Dependent One-Stranded Intercalation Mode.
Angew.Chem.Int.Ed.Engl., 55:7441-7444, 2016

PubMed Abstract: Understanding how small molecules interact with DNA is essential since it underlies a multitude of pathological conditions and therapeutic interventions. Many different intercalator compounds have been studied because of their activity as mutagens or drugs, but little is known regarding their interaction with nucleosomes, the protein-packaged form of DNA in cells. Here, using crystallographic methods and molecular dynamics simulations, we discovered that adducts formed by [(η(6) -THA)Ru(ethylenediamine)Cl][PF6 ] (THA=5,8,9,10-tetrahydroanthracene; RAED-THA-Cl[PF6 ]) in the nucleosome comprise a novel one-stranded intercalation and DNA distortion mode. Conversely, the THA group in fact remains solvent exposed and does not disrupt base stacking in RAED-THA adducts on B-form DNA. This newly observed DNA binding mode and topology dependence may actually be prevalent and should be considered when studying covalently binding intercalating compounds.

PubMed: 27184539
DOI: 10.1002/anie.201602145

実験手法

X-RAY DIFFRACTION (2.6 Å)