TABLE 5.
1H and 13C NMR chemical shifts of the K44 CPS of A. baumannii NIPH70 and oligosaccharide 1 derived by depolymerization of the CPS with phage depolymerase APK44_gp44a
| Residue |
1H and 13C chemical shifts (δ, ppm) |
||||||||
|---|---|---|---|---|---|---|---|---|---|
|
H-1 C-1 |
H-2 C-2 |
H-3 (ax, eq) C-3 |
H-4 C-4 |
H-5 C-5 |
H-6 (a, b) C-6 |
H-7 C-7 |
H-8 C-8 |
H-9C-9 | |
| CPS (at 30°C) (21) | |||||||||
| →3)-β-d-GalpNAc-(1→ A |
4.54 103.3 |
3.93 52.5 |
3.81 81.8 |
4.20 69.1 |
3.67 75.8 |
3.80, 3.80 62.2 |
|||
| →3,6)-β-d-Galp-(1→ B |
4.45 106.0 |
3.60 70.3 |
3.68 78.1 |
4.09 66.3 |
3.76 74.5 |
3.83, 4.04 71.0 |
|||
| →6)-β-d-Galp-(1→ С |
4.40 104.9 |
3.48 71.9 |
3.62 73.9 |
3.92 69.7 |
3.76 74.7 |
3.61, 3.89 64.6 |
|||
| →4)-α-Legp5Ac7Hb-(2→ DHb |
174.3 |
101.7 |
1.74, 2.95 41.4 |
3.63 78.7 |
3.75 51.5 |
3.95 73.1 |
3.87 55.0 |
3.94 68.5 |
1.15 19.5 |
| →4)-α-Legp5Ac7Ac-(2→ DAc |
174.3 |
101.7 |
1.74, 2.95 41.4 |
3.63 78.7 |
3.75 51.5 |
3.95 73.1 |
3.83 55.1 |
3.94 68.4 |
1.15 19.4 |
| α-d-GlcpNAc-(1→ E |
5.02 95.3 |
3.95 54.7 |
3.52 71.1 |
3.81 72.1 |
3.95 73.1 |
3.75, 3.80 61.6 |
|||
| Oligosaccharide 1 (at 30°C) | |||||||||
| →4)-β-Legp5Ac7Hb DHb |
1.88, 2.42 40.9 |
4.00 78.0 |
3.80 52.1 |
4.23 70.9 |
3.87 54.3 |
3.84 67.7 |
1.15 20.5 |
||
| →4)-β-Legp5Ac7Ac DAc |
1.88, 2.42 40.9 |
4.00 78.0 |
3.80 52.1 |
4.23 70.9 |
3.83 54.4 |
3.84 67.7 |
1.13 20.4 |
||
| →3)-β-d-GalpNAc-(1→ A |
4.57 103.2 |
3.91 52.6 |
3.84 81.8 |
4.19 69.2 |
3.67 75.9 |
3.81, 3.81 62.3 |
|||
| →3,6)-β-d-Galp-(1→ B |
4.47 105.9 |
3.60 70.3 |
3.69 78.0 |
4.11 66.0 |
3.78 74.5 |
3.86, 4.01 70.3 |
|||
| β-d-Galp-(1→ С |
4.41 104.7 |
3.50 72.0 |
3.63 74.0 |
3.91 69.9 |
3.68 76.4 |
3.75, 3.75 62.2 |
|||
| α-d-GlcpNAc-(1→ E |
5.03 95.1 |
3.96 54.7 |
3.53 71.0 |
3.82 72.1 |
3.97 73.1 |
3.73, 3.80 61.5 |
|||
a
Hb, (S)-3-hydroxybutanoyl. 1H NMR chemical shifts are italicized. Chemical shifts for NHb are δC 46.1 (C-2), 66.3–66.4 (C-3), and 23.5–23.7 (C-4), δH 2.36–2.40 (H-2), 4.16–4.18 (H-3), and 1.23–1.24 (H-4); for the N-acetyl groups, δC 23.3–23.7 (CH3), δH 1.95–2.04; for CO of NHb and NAc, 174.3–175.7.