8-oxoguainine enhances bending of DNA that favors binding of glycosylases

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Molecular dynamics (MD) simulations were carried out on the DNA oligonucleotide GGGAACAACTAG:CTAGTTGTTCCC in its native form and with guanine in the central G19:C6 base pair replaced by 8-oxoguanine (8oxoG). A box of explicit water molecules was used for solvation and Na+ counterions were added to neutralize the system. The direction and magnitude of global bending were assessed by a technique used previously to analyze simulations of DNA containing a thymine dimer. The presence of 8oxoG did not greatly affect the magnitude of DNA bending; however, bending into the major groove was significantly more probable when 8oxoG replaced G19. Crystal structures ... continued below

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Miller, John H. April 23, 2003.

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Molecular dynamics (MD) simulations were carried out on the DNA oligonucleotide GGGAACAACTAG:CTAGTTGTTCCC in its native form and with guanine in the central G19:C6 base pair replaced by 8-oxoguanine (8oxoG). A box of explicit water molecules was used for solvation and Na+ counterions were added to neutralize the system. The direction and magnitude of global bending were assessed by a technique used previously to analyze simulations of DNA containing a thymine dimer. The presence of 8oxoG did not greatly affect the magnitude of DNA bending; however, bending into the major groove was significantly more probable when 8oxoG replaced G19. Crystal structures of glycosylases bound to damaged-DNA substrates consistently show a sharp bend into the major groove at the damage site. We conclude that changes in bending dynamics that assist the formation of this kink are a part of the mechanism by which glycosylases of the base excision repair pathway recognize the presence of 8oxoG in DNA.

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Medium: X; Size: 6331 - 6336

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  • Journal Name: Journal of the American Chemical Society; Journal Volume: 125; Journal Issue: 20

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  • Report No.: NONE
  • Grant Number: FG03-02ER63350
  • DOI: 10.1021/ja029312n | External Link
  • Office of Scientific & Technical Information Report Number: 840893
  • Archival Resource Key: ark:/67531/metadc787244

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  • April 23, 2003

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  • Dec. 3, 2015, 9:30 a.m.

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  • Aug. 3, 2016, 2:07 p.m.

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Miller, John H. 8-oxoguainine enhances bending of DNA that favors binding of glycosylases, article, April 23, 2003; United States. (digital.library.unt.edu/ark:/67531/metadc787244/: accessed September 23, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.