Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Escherichia coli [ICD11:
XN6P4 
]
The structure was elucidated in this paperNCBI PubMed ID: 10782292Publication DOI: 10.1016/s0008-6215(99)00232-3Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: iparolis
icon.co.za
Institutions: School of Pharmaceutical Sciences, Rhodes University, PO Box 94, Grahamstown 6140, South Africa
The primary structure of the O-antigen of Escherichia coli O117 was shown by monosaccharide analysis, methylation analysis, and by 1D and 2D 1H and 13C NMR spectroscopy to be composed of linear pentasaccharide repeating units with the structure: →3)-a-D-GalpNAc-(1→4)-b-D-GalpNAc-(1→3)-a-L-Rhap-(1→4)-a-D-Glcp-(1→4)-b-D-Galp-(1→.
structure, NMR spectroscopy, pentasaccharide, O117 antigen, Escherichia coli O117:K98:H4
Structure type: suggested polymer biological repeating unit
Location inside paper: abstract
Compound class: O-polysaccharide, O-antigen
Contained glycoepitopes: IEDB_130648,IEDB_134627,IEDB_136044,IEDB_136105,IEDB_137472,IEDB_137473,IEDB_1391961,IEDB_1391963,IEDB_141584,IEDB_141794,IEDB_142488,IEDB_143260,IEDB_144998,IEDB_146664,IEDB_190606,IEDB_225177,IEDB_885822,IEDB_885823,IEDB_983931,SB_165,SB_166,SB_187,SB_192,SB_195,SB_23,SB_24,SB_7,SB_8,SB_88
Methods: NMR-2D, methylation, NMR, sugar analysis
Comments, role: chemical repeat frame is different in the paper; biological repeat frame was based on [PMID:19040662]
Related record ID(s): 20704, 21517, 24256, 28683
NCBI Taxonomy refs (TaxIDs): 2067430Reference(s) to other database(s): GTC:G65895LI, GlycomeDB:
28135
Show glycosyltransferases
NMR conditions: in D2O at 338 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,4,4,3,2 Ac 176.01 22.99
3,4,4,3 bDGalpN 104.16 53.70 71.37 76.93 75.91 61.17
3,4,4 aLRhap 101.29 71.27 81.03 71.89 70.30 17.43
3,4 aDGlcp 100.88 72.88 72.41 78.43 71.97 61.08
3 bDGalp 105.60 71.76 73.16 78.61 76.09 61.01
2 Ac 175.19 23.19
aDGalpN 99.54 49.72 77.89 69.351 71.37 61.56
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,4,4,3,2 Ac - 2.055
3,4,4,3 bDGalpN 4.719 4.034 3.837 4.058 3.757 3.852-3.900
3,4,4 aLRhap 4.906 4.167 3.862 3.556 4.033 1.271
3,4 aDGlcp 4.958 3.576 3.837 3.588 4.178 3.735-3.808
3 bDGalp 4.600 3.572 3.731 4.041 3.764 3.820-3.881
2 Ac - 2.083
aDGalpN 4.975 4.446 4.188 4.289 4.420 3.729-3.729
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,4,4,3,2 Ac 22.99/2.055
3,4,4,3 bDGalpN 104.16/4.719 53.70/4.034 71.37/3.837 76.93/4.058 75.91/3.757 61.17/3.852-3.900
3,4,4 aLRhap 101.29/4.906 71.27/4.167 81.03/3.862 71.89/3.556 70.30/4.033 17.43/1.271
3,4 aDGlcp 100.88/4.958 72.88/3.576 72.41/3.837 78.43/3.588 71.97/4.178 61.08/3.735-3.808
3 bDGalp 105.60/4.600 71.76/3.572 73.16/3.731 78.61/4.041 76.09/3.764 61.01/3.820-3.881
2 Ac 23.19/2.083
aDGalpN 99.54/4.975 49.72/4.446 77.89/4.188 69.351/4.289 71.37/4.420 61.56/3.729-3.729
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,4,4,3,2 | Ac |
| 2.055 | |
| 3,4,4,3 | bDGalpN | 4.719 | 4.034 | 3.837 | 4.058 | 3.757 | 3.852
3.900 |
| 3,4,4 | aLRhap | 4.906 | 4.167 | 3.862 | 3.556 | 4.033 | 1.271 |
| 3,4 | aDGlcp | 4.958 | 3.576 | 3.837 | 3.588 | 4.178 | 3.735
3.808 |
| 3 | bDGalp | 4.600 | 3.572 | 3.731 | 4.041 | 3.764 | 3.820
3.881 |
| 2 | Ac |
| 2.083 | |
| | aDGalpN | 4.975 | 4.446 | 4.188 | 4.289 | 4.420 | 3.729
3.729 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,4,4,3,2 | Ac | 176.01 | 22.99 | |
| 3,4,4,3 | bDGalpN | 104.16 | 53.70 | 71.37 | 76.93 | 75.91 | 61.17 |
| 3,4,4 | aLRhap | 101.29 | 71.27 | 81.03 | 71.89 | 70.30 | 17.43 |
| 3,4 | aDGlcp | 100.88 | 72.88 | 72.41 | 78.43 | 71.97 | 61.08 |
| 3 | bDGalp | 105.60 | 71.76 | 73.16 | 78.61 | 76.09 | 61.01 |
| 2 | Ac | 175.19 | 23.19 | |
| | aDGalpN | 99.54 | 49.72 | 77.89 | 69.351 | 71.37 | 61.56 |
|
There is only one chemically distinct structure:
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Found 1 record.
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