Adenine.methylthymine base-pairs enhance non-uniformity in DNA helices.
J Mol Biol
; 239(1): 37-51, 1994 May 27.
Article
em En
| MEDLINE
| ID: mdl-8196047
ABSTRACT
Nitroso compounds are known to induce mutations and cancer. Here we study the effect of methylation of O4 of thymine by nitroso compounds on the structure and dynamics of DNA helices. Four dodecamers, for which there exist experimental data obtained by NMR techniques, are studied using very long (approximately 1 ns) molecular dynamics simulations. The conformations obtained are in good agreement with the NMR data. A statistical analysis indicates that DNA in solution adopts conformations which are intermediate between those of the ideal DNA families, such as A and B-DNA. Also, the structures obtained in these molecular dynamics simulations possess a greater degree of non-uniformity than the crystal structures. Most importantly, the helices containing adenine.methylthymine base-pairs show a further enhancement in non-uniformity. A biological role for the enhanced nonuniformity is suggested.
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Base de dados:
MEDLINE
Assunto principal:
Timina
/
DNA
/
Adenina
/
Conformação de Ácido Nucleico
Idioma:
En
Ano de publicação:
1994
Tipo de documento:
Article