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Title page for ETD etd-11172008-114513

Type of Document Dissertation
Author Xu, Wen
URN etd-11172008-114513
Title Structural studies of butadiene-derived DNA adducts
Degree PhD
Department Chemistry
Advisory Committee
Advisor Name Title
Michael.P.Stone Committee Chair
Brandt F. Eichman Committee Member
Carmelo J. Rizzo Committee Member
Jens Meiler Committee Member
Martin Egli Committee Member
  • DNA adducts -- Structure
  • NMR
  • X-ray crystallography
  • structure
  • DNA -- Conformation
  • Butadiene
Date of Defense 2008-10-29
Availability unrestricted
This dissertation involved the structural investigations of butadiene-derived N6,N6-deoxycytosine intrastrand cross-linked adduct and N3-deoxyuridine adducts in DNA by NMR or X-ray crystallography, respectively. Solution structure of the N6,N6-deoxycytosine intrastrand cross-link indicated that the butadiene lesion was oriented in the major groove and existed in two conformations with formation of different hydrogen bonds between the beta-OH and the 5' base pair T16 O4 or the 3' base pair T17 O4. Crystal structures of binary Dpo4-DNA complexes and ternary Dpo4-DNA-d(d)NTP complexes containing BD-N3-deoxyuridine adducts with the Sulfolobus solfataricus DNA Polymerase IV (Dpo4) were determined. This is the first time to study Dpo4 complexes containing non-planar adducts in the template. The resulted non-productive crystal structures suggested that steric effect plays a significant role in bypass of damaged DNA by trans-lesion polymerase Dpo4.
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