Issue February 2000

category image Volume 17
No. 4 (p 617-768)
February 2000
ISSN 0739-1102

The Impact of Abasic Sites on DNA Flexibility (p. 645-654)

We use internal coordinate molecular mechanics calculations to study the impact of abasic sites on the conformation and the mechanics of the DNA double helix. Abasic sites, which are common mutagenic lesions, are shown to locally modify both the groove geometry and the curvature of DNA in a sequence dependent manner. By controlled twisting and bending, it is also shown that these lesions modify the deformability of the duplex, generally increasing its flexibility, but again to an extent which depends on the nature of the abasic site and on the surrounding base sequence. Both the conformational and mechanical influence of this type of DNA damage may be significant for recognition and repair mechanisms.

Leila Ayadi1
Christian Coulombeau1*
Richard Lavery2

1LEDSS, Laboratoire de Chimie Bioorganique
UMR CNRS 5616
Universite Joseph Fourier Grenoble 1
BP 53 X 38041 Grenoble
Cedex 9, France
2Laboratoire de Biochimie Theorique
UPR CNRS 9080
Institut de Biologie Physico-Chimique
13 rue Pierre et Marie Curie
Paris 75005, France
*christian.coulombeau@ujf-grenoble.fr

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