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. Author manuscript; available in PMC: 2021 Jul 1.
Published in final edited form as: J Am Chem Soc. 2020 Jun 19;142(26):11569–11577. doi: 10.1021/jacs.0c04710

Table 1.

Summary of O-GlcNAc-Containing Peptides Identified Using HCD-Triggered UVPD for Analysis of Tryptic Digests of O-GlcNAc-Modified TAB1 and Ph Proteins

protein glycopeptide charge state (+) Detected ion (m/z) peptide mass (Da) Mass error (ppm) PEP2Db Delta Mod score Sequence coverage Modified resc/known site
TAB1 VYPVSVPYSa(g1)SAQSTSK 2 951.97 1902.93 1.2 1.5e-13 766 93% S395/Y41
TAB1 VYPVSVPYSS(g2)AQSTSK 2 951.97 1902.93 1.3 6.1e-13 771 100% S396/Y13
TAB1 VYPVSVPYSSAQS(g3)TSK 2 951.97 1902.93 0.3 1.5e-12 761 100% S399/N
TAB1 VYPVSVPYSSAQSTS(g4)K 2 951.97 1902.93 1.1 1.5e-12 659 100% S401/N
TAB1 TSVTLSLVMPSQGQMVNGAHS(g5)ASTLDEATPTLTNQSPTLTLQSTNTHTQSSSSSSDGGLFR 4 1617.77 6467.07 −0.8 1.4e-13 1120 92% S423/N
TAB1 TSVTLSLVMPSQGQMVNGAHSASTLDEATPTLTNQSPTLTLQSTNTHT(g6)QSSSSSSDGGLFR 4 1617.77 6467.07 −1.1 8.2e-15 1035 73% T450/N
TAB1 LWSVDHGEQSVVT(g7)AP 2 914.44 1826.87 −0.2 3.9e-9 697 100% T502/N
ph1397–1589 LSESFPILGASTEVPPMS(g2)LPVQAAISAPSPLAMPLGSPLSVALPTLAPLSVVTSGAAPK 5 118.24 5937.19 −0.7 7.2e-11 345 91% S1457/N
ph1397–1589 LSESFPILGASTEVPPMSLPVQAAIS(g3)APSPLAMPLGSPLSVALPTLAPLSVVTSGAAPK 5 1188.24 5937.19 1.5 7.2e-16 537 95% S1465/N
ph1397–1589 SSEVNGTDRPPIS(g4)S WSVDDVSNFIR 3 989.80 2967.40 1.6 1.3e-16 730 100% S1511/N
a

(g) denotes an identified O-GlcNAc modification site

b

Scoring criteria used for assessing the quality of PTM site localization based on a previously established two-dimensional target decoy strategy (PEP 2D scores < 10−5),42 and the Delta Mod metric yields a measure of site localization of each identified O-GlcNAc modification (Delta Mod scores > 40) using Byonic.

c

Modified amino acid position in the full-length protein.

d

Data are based on triplicate runs.