Structure of a G-quadruplex–Ligand Complex

Haider, S.M., Parkinson, G.N. and Neidle, S. (2003) Structure of a G-quadruplex–Ligand Complex. Journal of Molecular Biology, 326 (1). pp. 117-125. 10.1016/S0022-2836(02)01354-2.

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

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 1.75 Å 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 2 ns molecular dynamics simulation.

Item Type:Article
Uncontrolled Keywords:G-quadruplex; acridine complex; crystal structure; molecular dynamics
Departments, units and centres:Department of Pharmaceutical and Biological Chemistry > Cancer Research UK Biomolecular Structure Group
ID Code:2153
Journal or Publication Title:Journal of Molecular Biology
Deposited By:Library Staff
Deposited On:09 Jun 2011 15:29
Last Modified:16 Jun 2011 09:56

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