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Contribution of opening and bending dynamics to specific recognition of DNA damage.

Abstract：

:Guanine-uracil (G.U) wobble base-pairs are a detrimental lesion in DNA. Previous investigations have shown that such wobble base-pairs are more prone to base-opening than the normal G.C base-pairs. To investigate the sequence-dependence of base-pair opening we have performed 5ns molecular dynamics simulations on G.U wobble base-pairs in two different sequence contexts, TGT/AUA and CGC/GUG. Furthermore, we have investigated the effect of replacing the guanine base in each sequence with a fluorescent guanine analogue, 6-methylisoxanthopterin (6MI). Our results indicate that each sequence opens spontaneously towards the major groove in the course of the simulations. The TGT/AUA sequence has a greater proportion of structures in the open state than the CGC/GUG sequence. Incorporation of 6MI yields wobble base-pairs that open more readily than their guanine counterparts. In order of increasing open population, the sequences are ordered as CGC

journal_name

J Mol Biol

journal_title

Journal of molecular biology

authors

Seibert E,Ross JB,Osman R

doi

10.1016/s0022-2836(03)00598-9

keywords:

subject

Has Abstract

pub_date

2003-07-18 00:00:00

pages

687-703

issue

4

eissn

0022-2836

issn

1089-8638

pii

S0022283603005989

journal_volume

330

pub_type

杂志文章

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