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. Author manuscript; available in PMC: 2017 Mar 21.
Published in final edited form as: Chem Res Toxicol. 2016 Mar 11;29(3):323–332. doi: 10.1021/acs.chemrestox.5b00485

Table 1.

Sites of HNE Modification on Recombinant CDK2 Identified by LC-MS/MSa

peptide residue modified XCorr observed m/z charge mass error (ppm) peptide start-stop observed spectra
ELNH*PPNIVK His60 3.15 611.3672 2 0.33 57–65 3
LLDVIH*TENK His71 3.12 670.3999 2 0.15 66–75 4
DLK*PQNLLINTEGAIK Lys129 3.55 642.3870 3 0.00 127–142 2
TYTH*EVVTLWYR His161 3.18 863.4668 2 0.17 158–169 8
SLLSQMLH*YDPNKR His268 3.45 620.6743 3 0.32 261–273 2
AALAH*PFFQDVTK His283 2.13 534.9724 3 0.37 279–291 7
PVPH*LR His295 1.89 438.7900 1 1.82 292–298 4
a

Recombinant CDK2 was modified in vitro with 30 μM HNE and analyzed for sites of HNE adduction by tandem mass spectrometry in three independent experiments. Modified residues are indicated by an asterisk. Data shown in the table represent the adducted peptides with the lowest mass error.