Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Host organism: Bos taurus
Associated disease: mastitis [ICD11:
GB21.Z 
];
infection due to Escherichia coli [ICD11:
XN6P4 ]
The structure was elucidated in this paperNCBI PubMed ID: 23567515Publication DOI: 10.1016/j.carres.2013.03.004Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: kduda
fz-borstel.de
Institutions: Division of Structural Biochemistry, Research Center Borstel, Leibniz-Center for Medicine and Biosciences, Airway Research Center North (ARCN), Member of the German Center for Lung Research (DZL), Parkallee 4a/c, D-23845 Borstel, Germany, NRZ Salmonellen und andere bakterielle Enteritiserreger Robert Koch-Institut, Außenstelle Wernigerode, Burgstr. 37, D-38855 Wernigerode, Germany
Escherichia coli is one of the major causative agents of bovine mastitis, a disease affecting dairy herds. The lipopolysaccharide (LPS) of E. coli was plays a prominent role during infection. Here, we report on the O-antigen chemical structure of the LPS from Escherichia coli strain 2188 (serotype O174:H28) isolated from a mastitis-diseased cow. The structure of the OPS was analyzed by 1 and 2D NMR spectroscopy, and methylation analysis, which identified the branched repeating tetrasaccharide biological unit.
O-antigen, Escherichia coli, NMR spectroscopy, mastitis, serotype O174
Structure type: suggested polymer biological repeating unit
Location inside paper: abstract, p.20
Compound class: O-polysaccharide, O-antigen
Contained glycoepitopes: IEDB_115136,IEDB_135813,IEDB_136044,IEDB_137340,IEDB_137472,IEDB_1391962,IEDB_140630,IEDB_141794,IEDB_141807,IEDB_142078,IEDB_143794,IEDB_150899,IEDB_151531,IEDB_190606,IEDB_423153,SB_137,SB_165,SB_166,SB_187,SB_195,SB_29,SB_7,SB_88
Methods: 13C NMR, 1H NMR, methylation, NMR-2D, composition analysis, NMR-1D, methanolysis
Comments, role: NMR temperature: 300 or 311
Related record ID(s): 27150, 28862, 30040
NCBI Taxonomy refs (TaxIDs): 562Reference(s) to other database(s): GTC:G01786GE
Show glycosyltransferases
NMR conditions: in D2O at 305 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,3,2,2 Ac 176.08 23.45
3,3,2 bDGlcpN 103.21 57.11 74.70 71.33 77.42 62.27
3,3 bDGlcpA 103.70 81.45 75.59 81.10 76.26 176.08
3 bDGalp 104.17 70.84 85.07 68.82 75.58 62.14
2 Ac 175.78 23.82
bDGlcpN 102.14 55.4 84.09 69.69 76.52 61.70
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,3,2,2 Ac - 2.05
3,3,2 bDGlcpN 4.81 3.68 3.56 3.37 3.48 3.72-3.94
3,3 bDGlcpA 4.78 3.64 3.68 3.80 3.70 -
3 bDGalp 4.50 3.67 3.74 4.09 3.90 3.72-3.95
2 Ac - 2.02
bDGlcpN 4.56 3.84 3.75 3.56 3.50 3.78-3.92
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,3,2,2 Ac 23.45/2.05
3,3,2 bDGlcpN 103.21/4.81 57.11/3.68 74.70/3.56 71.33/3.37 77.42/3.48 62.27/3.72-3.94
3,3 bDGlcpA 103.70/4.78 81.45/3.64 75.59/3.68 81.10/3.80 76.26/3.70
3 bDGalp 104.17/4.50 70.84/3.67 85.07/3.74 68.82/4.09 75.58/3.90 62.14/3.72-3.95
2 Ac 23.82/2.02
bDGlcpN 102.14/4.56 55.4/3.84 84.09/3.75 69.69/3.56 76.52/3.50 61.70/3.78-3.92
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,3,2,2 | Ac |
| 2.05 | |
| 3,3,2 | bDGlcpN | 4.81 | 3.68 | 3.56 | 3.37 | 3.48 | 3.72
3.94 |
| 3,3 | bDGlcpA | 4.78 | 3.64 | 3.68 | 3.80 | 3.70 |
|
| 3 | bDGalp | 4.50 | 3.67 | 3.74 | 4.09 | 3.90 | 3.72
3.95 |
| 2 | Ac |
| 2.02 | |
| | bDGlcpN | 4.56 | 3.84 | 3.75 | 3.56 | 3.50 | 3.78
3.92 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,3,2,2 | Ac | 176.08 | 23.45 | |
| 3,3,2 | bDGlcpN | 103.21 | 57.11 | 74.70 | 71.33 | 77.42 | 62.27 |
| 3,3 | bDGlcpA | 103.70 | 81.45 | 75.59 | 81.10 | 76.26 | 176.08 |
| 3 | bDGalp | 104.17 | 70.84 | 85.07 | 68.82 | 75.58 | 62.14 |
| 2 | Ac | 175.78 | 23.82 | |
| | bDGlcpN | 102.14 | 55.4 | 84.09 | 69.69 | 76.52 | 61.70 |
|
There is only one chemically distinct structure:
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