Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Escherichia coli [ICD11:
XN6P4 
]
The structure was elucidated in this paperNCBI PubMed ID: 22244340Publication DOI: 10.1016/j.carres.2011.12.009Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: A.V. Perepelov <perepel
ioc.ac.ru>
Institutions: TEDA School of Biological Sciences and Biotechnology, Nankai University, TEDA, Tianjin, China
The acidic O-polysaccharide (O-antigen) of Escherichia coli O41 was studied by sugar analysis along with 1D and 2D (1)H and (13)C NMR spectroscopy, and the following structure of the branched hexasaccharide repeating unit was established: This structure is unique among the known structures of bacterial polysaccharides. The O-antigen gene cluster of E. coli O41 was sequenced. The gene functions were tentatively assigned by a comparison with sequences in the available databases and found to be in full agreement with the E. coli O41 O-polysaccharide structure.
Lipopolysaccharide, O-antigen, Escherichia coli, bacterial polysaccharide structure, O-antigen gene cluster
Structure type: polymer chemical repeating unit
Location inside paper: abstract, p.87, Table 1
Compound class: O-polysaccharide, O-antigen
Contained glycoepitopes: IEDB_115136,IEDB_135813,IEDB_136045,IEDB_136906,IEDB_137340,IEDB_137472,IEDB_140630,IEDB_141794,IEDB_141807,IEDB_142489,IEDB_144562,IEDB_145669,IEDB_150092,IEDB_151528,IEDB_151531,IEDB_152214,IEDB_174333,IEDB_190606,IEDB_423096,IEDB_423153,IEDB_490056,SB_173,SB_7,SB_86
Methods: 13C NMR, 1H NMR, methylation, NMR-2D, DNA sequencing, sugar analysis, acid hydrolysis, GLC
Comments, role: published NMR assignment of -3)aGal(1- C4 (79.2) is erroneous in Table 1.
NCBI Taxonomy refs (TaxIDs): 562Reference(s) to other database(s): GTC:G84382BR
Show glycosyltransferases
NMR conditions: in D2O at 303 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,3,4,3 aDGalp 102.1 69.1 80.8 ? 72.1 63.0
3,3,4,4 bDGlcpA 104.9 74.7 76.5 73.2 78.0 174.8
3,3,4 aLFucp 100.8 69.3 76.5 81.5 69.0 16.6
3,3,2 Ac 176.1 23.6
3,3 bDGlcpN 100.1 57.7 73.8 78.2 76.7 61.2
3 aLFucp 101.0 67.6 78.2 70.6 68.1 16.5
2 Ac 176.3 23.7
bDGlcpN 103.0 56.7 81.7 70.2 76.9 62.5
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,3,4,3 aDGalp 5.18 3.81 3.85 4.11 4.18 3.66-3.71
3,3,4,4 bDGlcpA 4.59 3.43 3.54 3.63 3.77 -
3,3,4 aLFucp 5.00 4.04 3.98 4.15 4.44 1.27
3,3,2 Ac - 2.04
3,3 bDGlcpN 4.68 3.74 3.68 3.60 3.54 3.84-3.99
3 aLFucp 5.04 3.80 3.99 3.88 4.29 1.16
2 Ac - 2.00
bDGlcpN 4.85 3.89 3.69 3.50 3.64 3.75-3.97
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,3,4,3 aDGalp 102.1/5.18 69.1/3.81 80.8/3.85 ?/4.11 72.1/4.18 63.0/3.66-3.71
3,3,4,4 bDGlcpA 104.9/4.59 74.7/3.43 76.5/3.54 73.2/3.63 78.0/3.77
3,3,4 aLFucp 100.8/5.00 69.3/4.04 76.5/3.98 81.5/4.15 69.0/4.44 16.6/1.27
3,3,2 Ac 23.6/2.04
3,3 bDGlcpN 100.1/4.68 57.7/3.74 73.8/3.68 78.2/3.60 76.7/3.54 61.2/3.84-3.99
3 aLFucp 101.0/5.04 67.6/3.80 78.2/3.99 70.6/3.88 68.1/4.29 16.5/1.16
2 Ac 23.7/2.00
bDGlcpN 103.0/4.85 56.7/3.89 81.7/3.69 70.2/3.50 76.9/3.64 62.5/3.75-3.97
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,3,4,3 | aDGalp | 5.18 | 3.81 | 3.85 | 4.11 | 4.18 | 3.66
3.71 |
| 3,3,4,4 | bDGlcpA | 4.59 | 3.43 | 3.54 | 3.63 | 3.77 |
|
| 3,3,4 | aLFucp | 5.00 | 4.04 | 3.98 | 4.15 | 4.44 | 1.27 |
| 3,3,2 | Ac |
| 2.04 | |
| 3,3 | bDGlcpN | 4.68 | 3.74 | 3.68 | 3.60 | 3.54 | 3.84
3.99 |
| 3 | aLFucp | 5.04 | 3.80 | 3.99 | 3.88 | 4.29 | 1.16 |
| 2 | Ac |
| 2.00 | |
| | bDGlcpN | 4.85 | 3.89 | 3.69 | 3.50 | 3.64 | 3.75
3.97 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,3,4,3 | aDGalp | 102.1 | 69.1 | 80.8 | ? | 72.1 | 63.0 |
| 3,3,4,4 | bDGlcpA | 104.9 | 74.7 | 76.5 | 73.2 | 78.0 | 174.8 |
| 3,3,4 | aLFucp | 100.8 | 69.3 | 76.5 | 81.5 | 69.0 | 16.6 |
| 3,3,2 | Ac | 176.1 | 23.6 | |
| 3,3 | bDGlcpN | 100.1 | 57.7 | 73.8 | 78.2 | 76.7 | 61.2 |
| 3 | aLFucp | 101.0 | 67.6 | 78.2 | 70.6 | 68.1 | 16.5 |
| 2 | Ac | 176.3 | 23.7 | |
| | bDGlcpN | 103.0 | 56.7 | 81.7 | 70.2 | 76.9 | 62.5 |
|
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The spectrum also has 1 signal at unknown position (not plotted). |
There is only one chemically distinct structure:
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