A Graph-Theoretic Model Based on Primary and Predicted Secondary Structure Reveals Functional Specificity in a Set of Plant Secondary Product UDP-Glucosyltransferases
Plant secondary product glucosyltransferases (GTs), specifically flavonoid GTs, are being used as the model proteins. These GTs catalyze transfer of glucose from UDP-glucose to a wide variety of secondary metabolites. Although primary structure information is available for many putative GTs through genomic and proteomic databases, a direct biochemical link between structure and function exists for only subset of the proteins. In this work we utilize the primary sequences and predicted secondary structures of a set of GTs to build several graph-theoretic models of each GT. We determine graphical invariants and utilize them as descriptors of the biomolecules. Statistical analysis of the descriptors reveals additional information regarding substrate specificity.
Knisley, Debra; Seier, Edith; Lamb, Daniel; Owens, Daniel; and Mcintosh, Cecelia. 2009. A Graph-Theoretic Model Based on Primary and Predicted Secondary Structure Reveals Functional Specificity in a Set of Plant Secondary Product UDP-Glucosyltransferases. International Conference on Bioinformatics, Computational Biology, Genomics and Chemoinformatics 2009, BCBGC 2009. 65-72. ISBN: 9781615676538