title: A vector projection method for predicting the specificity of GalNAc-transferase.
abstract: The specificity of UDP-GalNAc:polypeptide N-acetylgalactosaminytransferase (GalNAc-transferase) is consistent with the existence of an extended site composed of nine subsites, denoted by P4, P3, P2, P1, P0, P1', P2', P3', P4', where the acceptor at P0 is being either Ser or Thr. To predict whether a peptide will react with the enzyme to form a Ser- or Thr-conjugated glycopeptide, a vector projection method is proposed which uses a training set of amino acid sequences surrounding 90 Ser and 106 Thr O-glycosylation sites extracted from the National Biomedical Research Foundation Protein Database. The model postulates independent interactions of the 9 amino acid moieties with their respective binding sites. The high ratio of correct predictions vs. total predictions for the data in both the training and the testing sets indicates that the method is self-consistent and efficient. It provides a rapid means for predicting O-glycosylation and designing effective inhibitors of GalNAc-transferase.
authors.affiliation: Upjohn Laboratories, Kalamazoo, Michigan 49007-4940, USA.
authors.forename: K C
authors.initials: KC
authors.lastname: Chou
authors.forename: C T
authors.initials: CT
authors.lastname: Zhang
authors.forename: F J
authors.initials: FJ
authors.lastname: Kézdy
authors.forename: R A
authors.initials: RA
authors.lastname: Poorman
mesh_terms: D000595:Amino Acid Sequence; D000818:Animals; D001665:Binding Sites / Q000235:genetics; D006031:Glycosylation; D006801:Humans; D066298:In Vitro Techniques; D008969:Molecular Sequence Data; D017350:N-Acetylgalactosaminyltransferases / Q000737:chemistry / Q000235:genetics / Q000378:metabolism*; D010446:Peptide Fragments / Q000737:chemistry / Q000235:genetics / Q000378:metabolism; D012694:Serine / Q000737:chemistry; D013912:Threonine / Q000737:chemistry
chemical_list: D010446:Peptide Fragments; D013912:Threonine; D012694:Serine; D017350:N-Acetylgalactosaminyltransferases