Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Escherichia coli [ICD11:
XN6P4 
]
The structure was elucidated in this paperNCBI PubMed ID: 7588790Publication DOI: 10.1111/j.1432-1033.1995.473_2.xJournal NLM ID: 0107600Publisher: Oxford, UK: Blackwell Science Ltd. on behalf of the Federation of European Biochemical Societies
Institutions: Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University, Sweden, Karolinska Institute, Department of Immunology, Microbiology, Pathology and Infectious Diseases, Division of Clinical Bacteriology, Huddinge University Hospital, Sweden, Center for Vaccine Development, Division of Geographic Medicine, Baltimore MD, USA
The O-antigen polysaccharide of the lipopolysaccharide from the enteroaggregative Escherichia coli O44:H18 has been investigated. Sugar and methylation analysis, 1H- and 13C NMR spectroscopy revealed that the polysaccharide is composed of pentasaccharide repeating units. The sequence of sugar residues was determined by use of two-dimensional nuclear Overhauser effect spectroscopy and heteronuclear multiple bond correlation experiments. The structure of the repeating unit of the O-antigen from Escherichia coli O44:H18 is as follows. [formula: see text]
Lipopolysaccharide, NMR, LPS, structural, polysaccharide, O-antigen, Escherichia, Escherichia coli, O-antigenic, O-antigenic polysaccharide, elucidation, Enteroaggregative
Structure type: suggested polymer biological repeating unit
Location inside paper: abstract
Compound class: O-polysaccharide, O-antigen
Contained glycoepitopes: IEDB_130701,IEDB_136104,IEDB_137340,IEDB_137485,IEDB_140116,IEDB_141807,IEDB_141830,IEDB_142488,IEDB_143632,IEDB_144983,IEDB_144998,IEDB_146664,IEDB_151531,IEDB_152206,IEDB_983930,IEDB_983931,SB_136,SB_192,SB_196,SB_44,SB_67,SB_72
Methods: methylation, NMR-2D, NMR
Comments, role: chemical repeat frame is different in the paper
Related record ID(s): 6049, 20655, 21694, 30341, 30594
NCBI Taxonomy refs (TaxIDs): 562Reference(s) to other database(s): GTC:G73229TB, GlycomeDB:
28108
Show glycosyltransferases
NMR conditions: in D2O at 343 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,2,2 aDManp 103.2 70.8 71.6 66.9 72.5 66.0
3,2 aDManp 100.2 78.5 71.0 67.7 73.5 61.6
3,4 aDGlcp 101.0 72.7 73.9 70.4 73.7 61.7
3 bDManp 100.6 76.2 75.2 76.8 76.2 61.8
2 Ac
aDGlcpN 98.2 53.8 81.1 69.3 72.7 61.6
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,2,2 aDManp 5.06 4.10 3.83 3.96 3.76 3.54-4.11
3,2 aDManp 5.31 4.08 4.01 3.76 3.94 ?
3,4 aDGlcp 5.27 3.55 3.66 3.40 3.72 ?
3 bDManp 4.77 3.97 3.95 3.81 3.54 ?
2 Ac
aDGlcpN 4.85 4.07 3.92 3.55 3.75 ?
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,2,2 aDManp 103.2/5.06 70.8/4.10 71.6/3.83 66.9/3.96 72.5/3.76 66.0/3.54-4.11
3,2 aDManp 100.2/5.31 78.5/4.08 71.0/4.01 67.7/3.76 73.5/3.94 61.6/?
3,4 aDGlcp 101.0/5.27 72.7/3.55 73.9/3.66 70.4/3.40 73.7/3.72 61.7/?
3 bDManp 100.6/4.77 76.2/3.97 75.2/3.95 76.8/3.81 76.2/3.54 61.8/?
2 Ac
aDGlcpN 98.2/4.85 53.8/4.07 81.1/3.92 69.3/3.55 72.7/3.75 61.6/?
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,2,2 | aDManp | 5.06 | 4.10 | 3.83 | 3.96 | 3.76 | 3.54
4.11 |
| 3,2 | aDManp | 5.31 | 4.08 | 4.01 | 3.76 | 3.94 | ? |
| 3,4 | aDGlcp | 5.27 | 3.55 | 3.66 | 3.40 | 3.72 | ? |
| 3 | bDManp | 4.77 | 3.97 | 3.95 | 3.81 | 3.54 | ? |
| 2 | Ac | |
| | aDGlcpN | 4.85 | 4.07 | 3.92 | 3.55 | 3.75 | ? |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,2,2 | aDManp | 103.2 | 70.8 | 71.6 | 66.9 | 72.5 | 66.0 |
| 3,2 | aDManp | 100.2 | 78.5 | 71.0 | 67.7 | 73.5 | 61.6 |
| 3,4 | aDGlcp | 101.0 | 72.7 | 73.9 | 70.4 | 73.7 | 61.7 |
| 3 | bDManp | 100.6 | 76.2 | 75.2 | 76.8 | 76.2 | 61.8 |
| 2 | Ac | |
| | aDGlcpN | 98.2 | 53.8 | 81.1 | 69.3 | 72.7 | 61.6 |
|
There is only one chemically distinct structure:
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