Open AccessO-Pair Search with MetaMorpheus for O-glycopeptide characterization
Author(s) -
Lei Lü,
Nicholas M. Riley,
Michael R. Shortreed,
Carolyn R. Bertozzi,
Lloyd M. Smith
Publication year - 2020
Publication title -
nature methods
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 19.469
H-Index - 318
eISSN - 1548-7105
pISSN - 1548-7091
DOI - 10.1038/s41592-020-00985-5
Subject(s) - glycopeptide , glycoproteomics , database search engine , computer science , computational biology , glycan , graph , chemistry , combinatorics , biology , search engine , theoretical computer science , biochemistry , information retrieval , mathematics , glycoprotein , antibiotics
We report O-Pair Search, an approach to identify O-glycopeptides and localize O-glycosites. Using paired collision- and electron-based dissociation spectra, O-Pair Search identifies O-glycopeptides via an ion-indexed open modification search and localizes O-glycosites using graph theory and probability-based localization. O-Pair Search reduces search times more than 2,000-fold compared to current O-glycopeptide processing software, while defining O-glycosite localization confidence levels and generating more O-glycopeptide identifications. Beyond the mucin-type O-glycopeptides discussed here, O-Pair Search also accepts user-defined glycan databases, making it compatible with many types of O-glycosylation. O-Pair Search is freely available within the open-source MetaMorpheus platform at https://github.com/smith-chem-wisc/MetaMorpheus .