Table 2.
Adducted sequences on PDI observed with metabolites of interest.
| PDI Observed Adducted Peptides by Reactive Metabolites of Naphthalene | |||||
|---|---|---|---|---|---|
| Peptide Order |
Sequence | Predicted Adducted Mass |
Charge | Observed Mass |
Modifier |
| 4 – 16 | MLSRALLCLALAWAAR | 1903.0445 | 2 | 951.5223 | NPO |
| 45 – 59 | YLLVEFYAPWCGHCK* | 2007.9252 | 2 | 1003.9616 | NDO |
| 123 – 132 | EADDIVNWLK | 1360.6412 | 1 | 1360.6425 | 1,2NPQ |
| 135 – 164 | TGPAATTLSDTAAAESLVDSSEVTVIGFFK | 3143.5307 | 2 | 1571.7659 | 1,2NPQ |
| 135 – 164 | TGPAATTLSDTAAAESLVDSSEVTVIGFFK | 3163.5569 | 2 | 1581.7780 | NDO |
| 165 – 172 | DVESDSAK* | 994.4364 | 1 | 994.4378 | NPO |
| 257 – 265 | THILLFLPK | 1259.7400 | 1 | 1259.7401 | NDO |
| 257 – 265 | THILLFLPK | 1397.7568 | 1 | 1397.7574 | 1,2NPQ |
| 280 – 285 | AAEGFK | 780.3563 | 1 | 780.3569 | 1,4NPQ |
| 288 – 302 | ILFIFIDSDHTDNQR | 2012.9832 | 2 | 1006.4910 | NDO |
| 341 – 347 | ITEFCHR | 1063.4666 | 1 | 1063.4670 | 1,2NPQ |
| 341 – 347 | ITEFCHR | 1063.4666 | 1 | 1063.4661 | 1,4NPQ |
The diadduct is highlighted in gray.
Binding sites on the peptides are underlined and in bold.
*
represents observed adducted sequences that did not have strong MS/MS fragmentation patterns.
Spectra are shown in supplemental data.