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. 2020 Aug 5;295(39):13664–13676. doi: 10.1074/jbc.RA120.014371

Table 1.

MALDI-TOF mass spectrometry of mutanolysin-digested peptidoglycan fragments

Compound1 m/z2
Δ (Observed and calculated) Predicted structure
Observed Calculated
pitet
    iv 990.4475 990.0698 0.3777 (NAG-NAM)-AQKAA
    iii 1033.4456 1033.1198 0.3258 (NAG-NAM)-AQK(G2)A
    ii 1204.5112 1204.3298 0.1814 (NAG-NAM)-AQK(G5)A
    ii 1261.5270 1261.3998 0.1272 (NAG-NAM)-AQK(G5)A(G1)3
    ii 1318.5313 1318.4698 0.0615 (NAG-NAM)-AQK(G5)A(G2)3
    ii 1375.5273 1375.5398 0.0125 (NAG-NAM)-AQK(G5)A(G3)3
    ii 1432.5298 1432.6098 0.0800 (NAG-NAM)-AQK(G5)A(G4)3
    i 1104.5363 1104.2098 0.3265 (NAG-NAM)-AQK(G2)AA
    i 1161.5384 1161.2798 0.2586 (NAG-NAM)-AQK(G3)AA
    i 1218.5429 1218.3498 0.1931 (NAG-NAM)-AQK(G4)AA
    i 1275.5616 1275.4198 0.1418 (NAG-NAM)-AQK(G5)AA
pitet-fmhA
    ii 1005.5708 1006.0828 0.5120 (NAG-NAM)-AQKA(S1)3
    ii 1047.5819 1047.1398 0.4421 (NAG-NAM)-AQK(G1)AA
    ii 1062.5872 1063.1528 -0.5656 (NAG-NAM)-AQK(G1)A(S1)3
    ii 1149.6054 1150.2558 -0.6504 (NAG-NAM)-AQKA(G1S2)3
    ii 1191.6037 1191.3128 0.2909 (NAG-NAM)-AQK(G2S1)AA
    i 1263.6192 1264.3896 -0.7704 (NAG-NAM)-AQK(G3S2)A
    i 1293.6184 1294.4226 -0.8042 (NAG-NAM)-AQK(G2S3)4
    i 1305.6181 1305.4528 0.1653 (NAG-NAM)-AQK(G4S1)AA
    i 1335.6164 1335.4831 0.1333 (NAG-NAM)-AQK(G3S2)AA
pitet-fmhC
    i 1104.9077 1104.2098 0.6979 (NAG-NAM)-AQK(G2)AA
    i 1161.8864 1161.2798 0.6066 (NAG-NAM)-AQK(G3)AA
    i 1218.9403 1218.3498 0.5905 (NAG-NAM)-AQK(G4)AA
    i 1305.9793 1305.4528 0.5265 (NAG-NAM)-AQK(G4S1)AA

1See Fig. 2 for compounds, i.e. absorption peaks of reverse-phase HPLC of mutanolysin-treated S. aureus peptidoglycan.

2Observed and calculated m/z values are for sodiated ions.

3These structures include cross-bridges from two cross-linked disaccharide units; amino acids from a cross-linked unit are listed after the fourth residue of the stem peptide from the first unit.

4Unexpected structure with three serines that could result from aberrant fmhA overexpression.