3CE5

A bimolecular parallel-stranded human telomeric quadruplex in complex with a 3,6,9-trisubstituted acridine molecule BRACO19

3CE5 の概要

• エントリーDOI: 10.2210/pdb3ce5/pdb
• 関連するPDBエントリー: 1K8P
• 分子名称: DNA (5'-D(*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DT)-3'), POTASSIUM ION, 9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine, ... (4 entities in total)
• 機能のキーワード: bimolecular, parallel, human, telomere, quadruplex, complex, trisubstituted, acridine, braco19, dna
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 8218.88

構造登録者

Campbell, N.H.,Parkinson, G.N.,Reszka, A.P.,Neidle, S. (登録日: 2008-02-28, 公開日: 2008-05-13, 最終更新日: 2023-08-30)

主引用文献

Campbell, N.H.,Parkinson, G.N.,Reszka, A.P.,Neidle, S.
Structural basis of DNA quadruplex recognition by an acridine drug.
J.Am.Chem.Soc., 130:6722-6724, 2008

PubMed Abstract: The crystal structure of a complex between the bimolecular human telomeric quadruplex d(TAGGGTTAGGGT)2 and the experimental anticancer drug BRACO-19, has been determined, to 2.5 A resolution. The binding site for the BRACO-19 molecule is at the interface of two parallel-folded quadruplexes, sandwiched between a G-tetrad surface and a TATA tetrad, and held in the site by networks of water molecules. The structure rationalizes the existing structure-activity data and provides a starting-point for the structure-based design of quadruplex-binding ligands

PubMed: 18457389
DOI: 10.1021/ja8016973

実験手法

X-RAY DIFFRACTION (2.5 Å)