Degree Type

Dissertation

Date of Award

2008

Degree Name

Doctor of Philosophy

Department

Chemical and Biological Engineering

First Advisor

Peter J. Reilly

Abstract

My research has focused on using computation by means of phylogenetic analysis and molecular mechanics docking studies to further extend knowledge of glycoside hydrolases (GHs). Phylogenetic analysis was used to crystallize the fundamental differences between specific types of cellulases in GH family 6 (GH6). Cellulase enzymes were then examined for functional divergence in order to determine the cause of substrate specificity, finding that very often, active site amino acid residues were highly retained, but surface residues had changed over time, most likely to help interact with other enzymes or larger substrates. Automated docking was able to provide support for the existence of several putative subsites within GH6 enzymes, along with providing more information about the possible residues to play the role of catalytic base.

Copyright Owner

John Blakely Mertz

Language

en

Date Available

2012-04-29

File Format

application/pdf

File Size

116 pages

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