1L1H

Crystal Structure of the Quadruplex DNA-Drug Complex

1L1H の概要

• エントリーDOI: 10.2210/pdb1l1h/pdb
• 分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', 3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-1-YL-PROPIONYLAMINO)-ACRIDIN-3-YL]-PROPIONAMIDE, POTASSIUM ION, ... (4 entities in total)
• 機能のキーワード: g-quadruplex, oxytricha, four-stranded dna, dna
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 8226.90

構造登録者

Haider, S.M.,Parkinson, G.N.,Neidle, S. (登録日: 2002-02-16, 公開日: 2003-02-11, 最終更新日: 2023-08-16)

主引用文献

Haider, S.M.,Parkinson, G.N.,Neidle, S.
Structure of a G-quadruplex-Ligand Complex
J.Mol.Biol., 326:117-125, 2003

PubMed Abstract: Stabilisation of G-quadruplex structures formed from telomeric DNA, by means of quadruplex-selective ligands, is a means of inhibiting the telomerase enzyme from catalysing the synthesis of telomeric DNA repeats. In order to understand the molecular basis of ligand-quadruplex recognition, the crystal structure has been determined of such a complex, at 1.75A resolution. This complex is between a dimeric antiparallel G-quadruplex formed from the Oxytricha nova telomeric DNA sequence d(GGGGTTTTGGGG), and a di-substituted aminoalkylamido acridine compound. The structure shows that the acridine moiety is bound at one end of the stack of G-quartets, within one of the thymine loops. It is held in place by a combination of stacking interactions and specific hydrogen bonds with thymine bases. The stability of the ligand in this binding site has been confirmed by a 2ns molecular dynamics simulation.

PubMed: 12547195
DOI: 10.1016/S0022-2836(02)01354-2

実験手法

X-RAY DIFFRACTION (1.75 Å)