LC-MS/MS Datasets for PICS-based Active Site Specificity Profiling of Prolyl Endopeptidases Celiacase and Neprosin Variant XGR3 using E. coli-derived Peptide Libraries and Gliadin Substrates.

1. Celiacase (Neprosin Variant N2) – PICS Data (Tables 1A – 3B).

Substrate: Trypsin-derived E. coli peptide library

• Table 1A: All Peptide-Spectrum Matches (PSMs) identified by LC-MS/MS.

• Table 1B: Protease cleavage specificity analysis using a dimethylation-based PICS workflow.

• Associated File: 20220923_CRJL_M9H11_PICS_EColi_Tryps_Neprosin_N2_5ug_155.raw

Substrate: GluC-derived E. coli peptide library

• Table 2A: All Peptide-Spectrum Matches (PSMs) identified by LC-MS/MS.

• Table 2B: Protease cleavage specificity analysis using a dimethylation-based PICS workflow.

• Associated File: 20220923_CRJL_M9H11_PICS_EColi_GluC_Neprosin_N2_5ug_162.raw

Substrate: Sigma Gliadin G3375

• Table 3A: All Peptide-Spectrum Matches (PSMs) identified by LC-MS/MS.

• Table 3B: Protease cleavage specificity analysis using a modified PICS workflow.

• Associated File: 20220927_CRJL_M9H11_Gliadin_Neprosin_N2_175.raw

2. XGR3 (Neprosin Variant N3) – PICS Data (Tables 4A – 6B).

Substrate: Trypsin-derived E. coli peptide library

• Table 4A: All Peptide-Spectrum Matches (PSMs) identified by LC-MS/MS.

• Table 4B: Protease cleavage specificity analysis using a dimethylation-based PICS workflow.

• Associated File: 20220923_CRJL_M9H11_PICS_EColi_Tryps_Neprosin_N3_5ug_156.raw

Substrate: GluC-derived E. coli peptide library

• Table 5A: All Peptide-Spectrum Matches (PSMs) identified by LC-MS/MS.

• Table 5B: Protease cleavage specificity analysis using a dimethylation-based PICS workflow.

• Associated File: 20220923_CRJL_M9H11_PICS_EColi_GluC_Neprosin_N3_5ug_163.raw

Substrate: Sigma Gliadin G3375

• Table 6A: All Peptide-Spectrum Matches (PSMs) identified by LC-MS/MS.

• Table 6B: Protease cleavage specificity analysis using a modified PICS workflow.

• Associated File: 20220922_CRJL_M9H11_Gliadin_Neprosin_N3_150.raw