Table 1.
1H and 13C NMR chemical shifts and selected inter-residue NOE and 3 J H,C connectivities from O-PS isolated from K. pneumoniae Kp81, PCM-11, and 5505Δcps.
| Residue | Strain | Chemical shifts (ppm) | Selected inter-residue NOE and 3 J H,C connectivities | ||||||
|---|---|---|---|---|---|---|---|---|---|
| H1/C1 | H2/C2 | H3/C3 | H4/C4 | H5/C5 | H6/C6 | H1/C1 connectivities to | Inter-residue atom/residue | ||
| A → 2)-α-d-Manp-(1→ | Kp81 | 5.36/101.4 | 4.10/79.0 | 3.98/70.8 | 3.69/67.8 | 3.77/74.1 | 3.76,3.90/61.7 | 3.99/79.0 | H3, C3 of D |
| PCM-11 | 5.37/101.5 | 4.10/79.5 | 4.00/70.9 | 3.69/67.9 | 3.77/74.2 | 3.76,3.92/61.9 | 4.00/79.2 | H3, C3 of D | |
| 5505 | 5.37/101.4 | 4.07/79.5 | 3.98/70.8 | 3.68/67.7 | 3.78/74.1 | 3.74,3.89/61.8 | 3.98/79.2 | H3, C3 of D | |
| A’ → 2)-α-d-Manp-(1→ | Kp81 | 5.42/101.2 | 4.09/79.8 | 3.96/70.8 | 3.72/67.8 | 3.77/74.1 | 3.76, 3.90/61.7 | 4.01/79.0 | H3, C3 of D’ |
| PCM-11 | 5.37/101.5 | 4.10/79.5 | 4.00/70.9 | 3.69/67.9 | 3.77/74.2 | 3.76,3.92/61.9 | 4.00/79.2 | H3, C3 of D’ | |
| 5505 | 5.37/101.4 | 4.07/79.5 | 3.98/70.8 | 3.68/67.7 | 3.78/74.1 | 3.74,3.89/61.8 | 3.98/79.2 | H3, C3 of D’ | |
| B → 2)-α-d-Manp-(1→ | Kp81 | na | na | na | na | na | na | na | na |
| PCM-11 | 5.30/101.5 | 4.11/79.4 | 3.97/70.9 | 3.73/67.7 | 3.76/74.1 | 3.76, 3.86/61.8 | 4.10/79.5 | H2, C2 of A | |
| 5505 | 5.29/101.4 | 4.10/79.3 | 3.94/70.8 | 3.69/67.8 | 3.74/74.1 | 3.74, 3.84/61.8 | 4.08/79.5 | H2, C2 of C | |
| B’ → 2)-α-d-Manp-(1→ | Kp81 | na | na | na | na | na | na | na | na |
| PCM-11 | 5.35/101.4 | 4.11/80.1 | 3.93/70.8 | 3.72/67.7 | 3.74/74.2 | 3.76,3.86/61.8 | 4.10/79.6 | H2, C2 of A’ | |
| 5505 | 5.34/101.3 | 4.09/80.0 | 3.91/70.8 | 3.72b/67.7 | 3.74b/74.0 | 3.75b, 3.84/61.8 | 4.07/79.6 | H2, C2 of C’ | |
| C → 2)-α-d-Manp-(1→ | Kp81 | na | na | na | na | na | na | na | na |
| PCM-11 | na | na | na | na | na | na | na | na | |
| 5505 | 5.29/101.4 | 4.08/79.5 | 3.94/70.8 | 3.69/67.8 | 3.73/74.1 | 3.74,3.84/61.8 | 4.07/79.5 | H2, C2 of A | |
| C’ → 2)-α-d-Manp-(1→ | Kp81 | na | na | na | na | na | na | na | na |
| PCM-11 | na | na | na | na | na | na | na | na | |
| 5505 | 5.29/101.4 | 4.08/79.5 | 3.94/70.8 | 3.69/67.8 | 3.73/74.1 | 3.74,3.84/61.8 | 4.07/79.5 | H2, C2 of A’ | |
| D → 3)-α-d-Manp-(1→ | Kp81 | 5.12/102.7 | 4.22/70.3 | 3.99/79.0 | 3.77/66.8 | 3.81/74.2 | 3.76, 3.91/61.7 | 3.94/78.7 | H3, C3 of E |
| PCM-11 | 5.12/102.9 | 4.24/70.5 | 4.00/79.2 | 3.75/67.0 | 3.82/74.4 | 3.76, 3.92/61.9 | 3.94/78.9 | H3, C3 of E | |
| 5505 | 5.11/102.9 | 4.21/70.4 | 3.98/79.2 | 3.75/66.9 | 3.81/74.2 | 3.73, 3.90/61.8 | 3.93/78.8 | H3, C3 of E | |
| D’ → 3)-α-d-Manp-(1→ | Kp81 | 5.09/102.8 | 4.20/70.3 | 4.01/79.0 | 3.77/66.8 | 3.81/74.2 | 3.76, 3.91/61.7 | 3.94/78.7 | H3, C3 of E |
| PCM-11 | 5.12/102.9 | 4.24/70.5 | 4.00/79.2 | 3.75/67.0 | 3.82/74.4 | 3.76, 3.92/61.9 | 3.94/78.9 | H3, C3 of E | |
| 5505 | 5.11/102.9 | 4.21/70.4 | 3.98/79.2 | 3.75/66.9 | 3.81/74.2 | 3.73, 3.90/61.8 | 3.93/78.8 | H3, C3 of E | |
| E → 3)-α-d-Manp-(1→ | Kp81 | 5.04/102.8 | 4.22/70.3 | 3.94/78.7 | 3.77/66.8 | 3.77/74.1 | 3.76, 3.84/61.6 | 4.10/79.0 | H2, C2 of A |
| PCM-11 | 5.03/102.9 | 4.23/70.4 | 3.94/78.9 | 3.75/67.0 | 3.80/74.2 | 3.76, 3.92/61.9 | 4.11/79.4 | H2, C2 of B | |
| 5505 | 5.03/102.9 | 4.21/70.4 | 3.93/78.8 | 3.75/66.9 | 3.79/74.2 | 3.73, 3.88/61.9 | 4.10/79.3 | H2, C2 of B | |
| E’ α-d-ManpPMe-(1→ | Kp81 | 5.05/102.8 | 4.25/69.9 | 4.26/76.4a | 3.77/66.3 | 3.81/74.1 | 3.76, 3.84/61.6 | 4.08/79.8 | H2, C2 of A’ |
| PCM-11 | 5.05/103.0 | 4.26/70.0 | 4.26/76.6a | 3.78/66.9 | 3.85/74.3 | 3.74, 3.86/61.8 | 4.10/80.1 | H2, C2 of B’ | |
| 5505 | 5.05/102.8 | 4.24/70.0 | 4.25/76.6a | 3.76/66.5 | 3.84/74.0 | 3.75, 3.86/61.8 | 4.09/80.1 | H2, C2 of B’ | |
aMeP was identified in Kp81: 3.61, 3.63/53.7 ppm; in PCM-11: 3.61, 3.63/53.9 ppm; and in 5505Δcps: 3.61, 3.63/53.8 ppm, where J P,H was 11.0 Hz. 31P, 1H HMBC showed correlation between P (~2 ppm) and protons of MeP and H-3 of E’ residues. 31P, 1H HMQC-TOCSY showed correlation between P and H-1, H-2, H-3, H-4, H-5 of E’ residues. Anomeric configuration (α) of sugar residues was determined on the basis of J H1,C1 of 171-174 Hz.
bAssignments of resonances were made by comparisons with published data12. na- not applicable for indicated strain.