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PDBsum entry 2mb3

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dna_rna ligands links
DNA/DNA inhibitor PDB id
2mb3
Jmol
Contents
DNA/RNA
Ligands
L2H
PDB id:
2mb3
Name: DNA/DNA inhibitor
Title: Solution structure of an intramolecular (3+1) human telomeri quadruplex bound to a telomestatin derivative
Structure: Dna_(5'- d( Tp Tp Gp Gp Gp Tp Tp Ap Gp Gp Gp Tp Tp Ap Gp Gp Gp Tp Tp gp A)-3'). Chain: a. Engineered: yes
Source: Synthetic: yes
NMR struc: 10 models
Authors: W.J.Chung,B.Heddi,M.Tera,K.Iida,K.Nagasawa,A.T.Phan
Key ref: W.J.Chung et al. (2013). Solution structure of an intramolecular (3 + 1) human telomeric G-quadruplex bound to a telomestatin derivative. J Am Chem Soc, 135, 13495-13501. PubMed id: 23909929 DOI: 10.1021/ja405843r
Date:
24-Jul-13     Release date:   28-Aug-13    
 Headers
 References

 

 
DOI no: 10.1021/ja405843r J Am Chem Soc 135:13495-13501 (2013)
PubMed id: 23909929  
 
 
Solution structure of an intramolecular (3 + 1) human telomeric G-quadruplex bound to a telomestatin derivative.
W.J.Chung, B.Heddi, M.Tera, K.Iida, K.Nagasawa, A.T.Phan.
 
  ABSTRACT  
 
Guanine-rich human telomeric DNA can adopt secondary structures known as G-quadruplexes, which can be targeted by small molecules to achieve anticancer effects. So far, the structural information on complexes between human telomeric DNA and ligands is limited to the parallel G-quadruplex conformation, despite the high structural polymorphism of human telomeric G-quadruplexes. No structure has been yet resolved for the complex with telomestatin, one of the most promising G-quadruplex-targeting anticancer drug candidates. Here we present the first high-resolution structure of the complex between an intramolecular (3 + 1) human telomeric G-quadruplex and a telomestatin derivative, the macrocyclic hexaoxazole L2H2-6M(2)OTD. This compound is observed to interact with the G-quadruplex through π-stacking and electrostatic interactions. This structural information provides a platform for the design of topology-specific G-quadruplex-targeting compounds and is valuable for the development of new potent anticancer drugs.