Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Escherichia coli [ICD11:
XN6P4 
]
The structure was elucidated in this paperNCBI PubMed ID: 20594547Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: A.V. Perepelov <perepel
ioc.ac.ru>
Institutions: N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russia
The following structure of the O-polysaccharide (O-antigen) of Salmonella enterica O13 was established by chemical analyses along with 2D (1)H and (13)C NMR spectroscopy: →2)-α-L-Fucp-(1→2)-β-D-Galp-(1→3)-α-D-GalpNAc-(1→3)-α-D-GlcpNAc-(1→ The O-antigen of S. enterica O13 was found to be closely related to that of Escherichia coli O127, which differs only in the presence of a GalNAc residue in place of the GlcNAc residue and O-acetylation. The location of the O-acetyl groups in the E. coli O127 polysaccharide was determined. The structures of the O-polysaccharides studied are in agreement with the DNA sequence of the O-antigen gene clusters of S. enterica O13 and E. coli O127 reported earlier.
Escherichia coli, Salmonella enterica, O-Polysaccharide structure, O-antigen gene claster
Structure type: polymer chemical repeating unit
Location inside paper: p.1810, fig.2
Compound class: O-polysaccharide, O-antigen
Contained glycoepitopes: IEDB_130648,IEDB_134627,IEDB_136044,IEDB_136045,IEDB_137472,IEDB_137473,IEDB_1391961,IEDB_1391963,IEDB_141582,IEDB_141584,IEDB_141794,IEDB_142489,IEDB_143260,IEDB_144562,IEDB_150766,IEDB_150948,IEDB_152214,IEDB_153553,IEDB_174333,IEDB_190606,IEDB_241096,IEDB_461710,IEDB_461719,IEDB_885822,SB_154,SB_165,SB_166,SB_187,SB_195,SB_23,SB_24,SB_7,SB_8,SB_86,SB_88
Methods: 13C NMR, 1H NMR, NMR-2D, DNA sequencing, sugar analysis, acid hydrolysis, GLC, de-O-acetylation
Comments, role: Escherichia coli O127 strain G1094; NMR data for O-deacetylated O-PS.
Related record ID(s): 25392
NCBI Taxonomy refs (TaxIDs): 562Reference(s) to other database(s): GTC:G70472WJ
Show glycosyltransferases
NMR conditions: in D2O at 303 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,3,2,3 65%Ac 174.0 21.7
3,3,2,4 35%Ac 174.0 21.7
3,3,2 aLFucp 99.7 73.3 71.3 73.5 68.1 16.4
3,3 bDGalp 103.5 76.6 74.9 70.2 76.1 62.0
3,2 Ac 174.9 23.2
3 aDGalpN 93.9 50.0 75.8 69.9 71.9 62.0
2 Ac 175.3 23.4
aDGalpN 99.3 49.1 72.9 65.4 72.3 62.5
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,3,2,3 65%Ac
3,3,2,4 35%Ac
3,3,2 aLFucp 5.29 3.96 3.79 3.63 4.24 1.19
3,3 bDGalp 4.58 3.72 3.7 3.89 3.66 3.5-3.75
3,2 Ac - 2.07
3 aDGalpN 5.07 4.23 3.94 4.23 3.94 3.80-3.80
2 Ac - 2.07
aDGalpN 5.26 4.37 3.92 4.14 4.16 3.71-3.76
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,3,2,3 65%Ac NMR TSV error 2: unequal length of 13C and 1H datasets
3,3,2,4 35%Ac NMR TSV error 2: unequal length of 13C and 1H datasets
3,3,2 aLFucp 99.7/5.29 73.3/3.96 71.3/3.79 73.5/3.63 68.1/4.24 16.4/1.19
3,3 bDGalp 103.5/4.58 76.6/3.72 74.9/3.7 70.2/3.89 76.1/3.66 62.0/3.5-3.75
3,2 Ac 23.2/2.07
3 aDGalpN 93.9/5.07 50.0/4.23 75.8/3.94 69.9/4.23 71.9/3.94 62.0/3.80-3.80
2 Ac 23.4/2.07
aDGalpN 99.3/5.26 49.1/4.37 72.9/3.92 65.4/4.14 72.3/4.16 62.5/3.71-3.76
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,3,2,3 | 65%Ac | |
| 3,3,2,4 | 35%Ac | |
| 3,3,2 | aLFucp | 5.29 | 3.96 | 3.79 | 3.63 | 4.24 | 1.19 |
| 3,3 | bDGalp | 4.58 | 3.72 | 3.7 | 3.89 | 3.66 | 3.5
3.75 |
| 3,2 | Ac |
| 2.07 | |
| 3 | aDGalpN | 5.07 | 4.23 | 3.94 | 4.23 | 3.94 | 3.80
3.80 |
| 2 | Ac |
| 2.07 | |
| | aDGalpN | 5.26 | 4.37 | 3.92 | 4.14 | 4.16 | 3.71
3.76 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,3,2,3 | 65%Ac | 174.0 | 21.7 | |
| 3,3,2,4 | 35%Ac | 174.0 | 21.7 | |
| 3,3,2 | aLFucp | 99.7 | 73.3 | 71.3 | 73.5 | 68.1 | 16.4 |
| 3,3 | bDGalp | 103.5 | 76.6 | 74.9 | 70.2 | 76.1 | 62.0 |
| 3,2 | Ac | 174.9 | 23.2 | |
| 3 | aDGalpN | 93.9 | 50.0 | 75.8 | 69.9 | 71.9 | 62.0 |
| 2 | Ac | 175.3 | 23.4 | |
| | aDGalpN | 99.3 | 49.1 | 72.9 | 65.4 | 72.3 | 62.5 |
|
There is only one chemically distinct structure:
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