Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Host organism: Homo sapiens
Associated disease: functional gastrointestinal disorders [ICD11:
DD9Y 
]
The structure was elucidated in this paperNCBI PubMed ID: 19800615Publication DOI: 10.1016/j.carres.2009.09.016Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: A.N. Kondakova <annakond
gmail.com>
Institutions: N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russia
The O-polysaccharide of Yersinia pseudotuberculosis O:1b was reinvestigated using (1)H and (13)C NMR spectroscopy, and the anomeric configuration of the mannose residue at the branching point was revised. The following is the revised structure of the O-polysaccharide: [structure: see the text] where Par stands for 3,6-dideoxy-D-ribo-hexose (paratose). The revised structure of the main chain is shared by the O-polysaccharide of Y. pseudotuberculosis O:11, which differs in the presence of a lateral α-L-6-deoxyaltrofuranose residue in place of the β-paratofuranose residue [Cunneen, M. M.; de Castro, C.; Kenyon, J.; Parrilli, M.; Reeves, P. R.; Molinaro, A.; Holst, O.; Skurnik, M. Carbohydr. Res.2009, 344, 1533-1540].
Lipopolysaccharide, O-antigen, Yersinia pseudotuberculosis, bacterial polysaccharide structure, paratose
Structure type: polymer chemical repeating unit
Location inside paper: abstract
Compound class: O-polysaccharide, O-antigen
Contained glycoepitopes: IEDB_130701,IEDB_136045,IEDB_137340,IEDB_137485,IEDB_141807,IEDB_142489,IEDB_144562,IEDB_144983,IEDB_145669,IEDB_151531,IEDB_152206,IEDB_152214,IEDB_174333,IEDB_983930,SB_44,SB_67,SB_72,SB_86
Methods: 13C NMR, 1H NMR, NMR-2D
NCBI Taxonomy refs (TaxIDs): 109458Reference(s) to other database(s): GTC:G53283KR, GlycomeDB:
37277
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 bXParf 107.4 76.4 31.5 85.8 68.9 19.1
3,3,4 bDManp 101.5 74.5 80.6 66.8 78.1 61.9
3,3 aDManp 102.9 71.1 70.6 78.9 73.2 61.7
3 aLFucp 100.5 68.9 78.9 73.1 68.3 16.7
2 Ac 175.3 23.5
aDGlcpN 99.2 54.9 78.9 69.5 73.0 62.2
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,3,4,3 bXParf 5.11 4.20 1.93-2.10 4.32 4.03 1.13
3,3,4 bDManp 4.76 4.30 3.74 3.79 3.50 3.81-3.97
3,3 aDManp 5.13 4.11 3.99 3.87 3.83 3.78-3.90
3 aLFucp 5.13 3.88 3.95 3.91 4.35 1.19
2 Ac - 2.05
aDGlcpN 5.06 4.08 3.95 3.66 4.13 3.76-3.90
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,3,4,3 bXParf 107.4/5.11 76.4/4.20 31.5/1.93-2.10 85.8/4.32 68.9/4.03 19.1/1.13
3,3,4 bDManp 101.5/4.76 74.5/4.30 80.6/3.74 66.8/3.79 78.1/3.50 61.9/3.81-3.97
3,3 aDManp 102.9/5.13 71.1/4.11 70.6/3.99 78.9/3.87 73.2/3.83 61.7/3.78-3.90
3 aLFucp 100.5/5.13 68.9/3.88 78.9/3.95 73.1/3.91 68.3/4.35 16.7/1.19
2 Ac 23.5/2.05
aDGlcpN 99.2/5.06 54.9/4.08 78.9/3.95 69.5/3.66 73.0/4.13 62.2/3.76-3.90
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,3,4,3 | bXParf | 5.11 | 4.20 | 1.93
2.10 | 4.32 | 4.03 | 1.13 |
| 3,3,4 | bDManp | 4.76 | 4.30 | 3.74 | 3.79 | 3.50 | 3.81
3.97 |
| 3,3 | aDManp | 5.13 | 4.11 | 3.99 | 3.87 | 3.83 | 3.78
3.90 |
| 3 | aLFucp | 5.13 | 3.88 | 3.95 | 3.91 | 4.35 | 1.19 |
| 2 | Ac |
| 2.05 | |
| | aDGlcpN | 5.06 | 4.08 | 3.95 | 3.66 | 4.13 | 3.76
3.90 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,3,4,3 | bXParf | 107.4 | 76.4 | 31.5 | 85.8 | 68.9 | 19.1 |
| 3,3,4 | bDManp | 101.5 | 74.5 | 80.6 | 66.8 | 78.1 | 61.9 |
| 3,3 | aDManp | 102.9 | 71.1 | 70.6 | 78.9 | 73.2 | 61.7 |
| 3 | aLFucp | 100.5 | 68.9 | 78.9 | 73.1 | 68.3 | 16.7 |
| 2 | Ac | 175.3 | 23.5 | |
| | aDGlcpN | 99.2 | 54.9 | 78.9 | 69.5 | 73.0 | 62.2 |
|
There is only one chemically distinct structure:
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