Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Escherichia coli [ICD11:
XN6P4 
]
The structure was elucidated in this paperNCBI PubMed ID: 7544238Publication DOI: 10.1016/0008-6215(95)00041-QJournal NLM ID: 0043535Publisher: Elsevier
Correspondence: torgov
ioc.ac.ru
Institutions: Max-Planck-Institut für Immunbiologie, Freiburg, Germany
Structures for the N-acetylneuraminic acid (Neu5Ac)-containing O56 and O24 polysaccharides of Escherichia coli have been reported previously. During these studies unusual chemical shifts had been observed for the NMR signals for H-3eq and C-3 of the Neu5Ac residues of both polysaccharides. In further pursuing this phenomenon, we have reinvestigated the O56 and O24 polysaccharides as well as derived oligosaccharides by one- and two-dimensional NMR spectroscopy. The results showed that structures of both polysaccharides (PSs) had to be modified and formulated as [formula: see text] 2D ROESY spectra revealed a strong NOE between H-3eq of Neu5Ac and the protons of the side-chain sugar (H-3 and H-5 of α-D-Galp in the O56 PS and H-3 of α-D-Glcp in the O24 PS) and also between H-3ax of Neu5Ac and H-3 of β-D-Glcp in the main chain. This indicated a close spatial association of the seven-linked α-Neu5Ac and the side-chain residues α-D-Galp (O56 PS) and α-D-Glcp (O25 PS), respectively. The strong long-range spatial contacts caused the unusual chemical shifts of H-3eq and C-3 of Neu5Ac.
Escherichia coli, NMR spectroscopy, polysaccharide structure, 024 and 056 antigens
Structure type: oligomer
Location inside paper: p.84, trisaccharide VI, table 9
Contained glycoepitopes: IEDB_130648,IEDB_137473,IEDB_142488,IEDB_146664,IEDB_983931,SB_192
Methods: NMR-2D, NMR, sugar analysis, Smith degradation
Comments, role: NMR temperature was not specified
Related record ID(s): 326, 327, 8382, 8411, 8412, 8413, 8414
NCBI Taxonomy refs (TaxIDs): 2170724Reference(s) to other database(s): GTC:G35031WO
Show glycosyltransferases
NMR conditions: in D2O; pH 6
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6 C7 C8
7,3 bDGlcp 105.8 74.3 76.9 70.8 77.1 61.9
7,2 Ac
7 bDGalpN 103.3 53.1 81.6 69.3 76.1 62.0
5 Ac
bDSugp 175.8 96.7 40.2 67.3 55.0 70.8 79.4 62.3
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6 H7 H8
7,3 bDGlcp 4.50 3.30 3.47 3.40 3.44 3.73-3.89
7,2 Ac
7 bDGalpN 4.68 3.94 3.89 4.17 3.72 3.83
5 Ac
bDSugp - - 1.87-2.29 4.30 3.74 4.33 3.99 3.66-3.66
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6 C7/H7 C8/H8
7,3 bDGlcp 105.8/4.50 74.3/3.30 76.9/3.47 70.8/3.40 77.1/3.44 61.9/3.73-3.89
7,2 Ac
7 bDGalpN 103.3/4.68 53.1/3.94 81.6/3.89 69.3/4.17 76.1/3.72 62.0/3.83
5 Ac
bDSugp 40.2/1.87-2.29 67.3/4.30 55.0/3.74 70.8/4.33 79.4/3.99 62.3/3.66-3.66
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 | H7 | H8 |
|---|
| 7,3 | bDGlcp | 4.50 | 3.30 | 3.47 | 3.40 | 3.44 | 3.73
3.89 | |
| 7,2 | Ac | |
| 7 | bDGalpN | 4.68 | 3.94 | 3.89 | 4.17 | 3.72 | 3.83 | |
| 5 | Ac | |
| | bDSugp |
|
| 1.87
2.29 | 4.30 | 3.74 | 4.33 | 3.99 | 3.66
3.66 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 | C7 | C8 |
|---|
| 7,3 | bDGlcp | 105.8 | 74.3 | 76.9 | 70.8 | 77.1 | 61.9 | |
| 7,2 | Ac | |
| 7 | bDGalpN | 103.3 | 53.1 | 81.6 | 69.3 | 76.1 | 62.0 | |
| 5 | Ac | |
| | bDSugp | 175.8 | 96.7 | 40.2 | 67.3 | 55.0 | 70.8 | 79.4 | 62.3 |
|
There is only one chemically distinct structure:
Found 
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