Table 1.
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.