1l1h
From Proteopedia
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Crystal Structure of the Quadruplex DNA-Drug Complex
Overview
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.
About this Structure
1L1H is a Protein complex structure of sequences from [1] with PYN and K as ligands. Full crystallographic information is available from OCA.
Reference
Structure of a G-quadruplex-ligand complex., Haider SM, Parkinson GN, Neidle S, J Mol Biol. 2003 Feb 7;326(1):117-25. PMID:12547195
Page seeded by OCA on Sun Nov 25 02:18:29 2007
Categories: Protein complex | Haider, S.M. | Neidle, S. | Parkinson, G.N. | K | PYN | Four-stranded dna | G-quadruplex | Oxytricha
