Treatment of nonspecific DNA-protein contacts and application to the excision mechanism of a unique human DNA glycosylase

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dc.contributor.authorRutledge, Lesley R
dc.contributor.authorUniversity of Lethbridge. Faculty of Arts and Science
dc.contributor.supervisorWetmore, Stacey D.
dc.date.accessioned2012-04-11T21:23:04Z
dc.date.available2012-04-11T21:23:04Z
dc.date.issued2011
dc.degree.disciplineChemistry & Biochemistry
dc.degree.fieldArts and Science
dc.degree.levelDoctor of Philosophy
dc.degree.subfieldSciences
dc.descriptionxvi, 195 leaves : ill. (some col.) ; 29 cm + 1 CD-ROMen_US
dc.description.abstractThis thesis concentrates on understanding how individual nonspecific DNA–protein contacts are used in the excision mechanism of the human DNA repair enzyme, alkyladenine DNA glycosylase (AAG). Initially, studies focus on understanding the structure and magnitude of these fundamentally different DNA–protein stacking and T-shaped interactions to be applied to the active site of AAG. High-level ab initio techniques revealed fundamental knowledge about the structure and magnitude of these distinctly different π+ and π contacts between (one or two) conjugated amino acid(s) and one nucleobase. Additionally, the mechanism used by AAG to excise (neutral and cationic) damaged nucleotides was investigated using a hybrid ONIOM approach. Reaction potential energy surfaces reveal that AAG prefers to excise both neutral and cationic substrates through a concerted mechanism, yet the nonspecific contacts present in the active site are only catalytic for the cleavage of the neutral substrates.en_US
dc.identifier.urihttps://hdl.handle.net/10133/2636
dc.language.isoen_USen_US
dc.librarysymbolALU
dc.organizationUniversity of Lethbridge
dc.publisherLethbridge, Alta. : University of Lethbridge, Dept. of Chemistry and Biochemistry, c2011en_US
dc.publisher.departmentDepartment of Chemistry and Biochemistryen_US
dc.publisher.facultyArts and Scienceen_US
dc.relation.ispartofseriesThesis (University of Lethbridge. Faculty of Arts and Science)en_US
dc.subjectDNA ligases -- Researchen_US
dc.subjectDNA repair -- Researchen_US
dc.subjectDNA -- Methylation -- Researchen_US
dc.subjectAlkylationen_US
dc.subjectGlycoproteins -- Researchen_US
dc.subjectDissertations, Academicen_US
dc.titleTreatment of nonspecific DNA-protein contacts and application to the excision mechanism of a unique human DNA glycosylaseen_US
dc.typeThesisen_US
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