Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Host organism: Homo sapiens
Associated disease: bacteremia [ICD11:
MA15.0 
];
gastroenteritis [ICD11:
1A40.0 ]
The structure was elucidated in this paperNCBI PubMed ID: 23643833Publication DOI: 10.1016/j.carres.2013.03.029Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: W. Jachymek <jachymek
iitd.pan.wroc.pl>
Institutions: Ludwik Hirszfeld Institute of Immunology and Experimental Therapy, Polish Academy of Sciences, Wroclaw, Poland
Hafnia alvei strain PCM 2670 is a clinical isolate from a patient with chronic reproductive tract infection. The novel structure of the semi-rough lipopolysaccharide was established with the use of NMR spectroscopy and mass spectrometry as well as immunochemical techniques. According to the mass spectrometry data, heptose in the oligosaccharide is partially substituted by glycine. H. alvei PCM 2670 core structure encompasses the common core of H. alvei which is modified with two additional galactose units. The 6-substituted galactose is the O-antigen repeating unit substitution residue. The repeating unit consists of five monosaccharide residues and has the following structure: →2)-β-Galp-(1→6)-α-Glcp-(1→6)-α-GlcpNAc3OAc-(1→4)-α-GalpA-(1→3)-β-GlcpNAc6OAc-(1→6)-core.
NMR, Hafnia alvei, glycine, ESIMS, semi-rough lipopolysaccharide
Structure type: polymer chemical repeating unit
Location inside paper: abstract, p.72, table 3
Compound class: O-polysaccharide
Contained glycoepitopes: IEDB_135813,IEDB_136044,IEDB_137340,IEDB_137472,IEDB_141794,IEDB_141807,IEDB_142488,IEDB_144998,IEDB_146664,IEDB_151531,IEDB_190606,IEDB_983931,SB_165,SB_166,SB_187,SB_192,SB_195,SB_7,SB_88
Methods: 13C NMR, 1H NMR, methylation, NMR-2D, GC-MS, SDS-PAGE, sugar analysis, 31P NMR, ESI-MS, NMR-1D, immunoblotting
Related record ID(s): 29431, 29432, 29433, 29434, 29917
NCBI Taxonomy refs (TaxIDs): 569Reference(s) to other database(s): GTC:G84913QZ
Show glycosyltransferases
NMR conditions: in D2O at 298 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,4,6,6 bDGalp 102.4 79.8 73.9 69.5 75.5 61.7
3,4,6 aDGlcp 98.6 72.4 73.5 70.0 71.5 68.7
3,4,2 Ac
3,4,3 Ac
3,4 aDGlcpN 99.5 52.4 74.6 68.2 71.3 65.5
3 aDGalpA 101.1 68.8 68.9 80.3 71.5 174.3
2 Ac
6 Ac
bDGlcpN 102.5 55.3 82.0 71.1 73.6 64.1
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,4,6,6 bDGalp 4.44 3.63 3.64 3.84 3.62 3.70-3.75
3,4,6 aDGlcp 4.92 3.53 3.76 3.57 3.79 3.90-4.08
3,4,2 Ac
3,4,3 Ac
3,4 aDGlcpN 4.95 4.12 5.08 3.83 4.43 3.61-4.05
3 aDGalpA 5.38 3.94 3.99 4.37 4.31 -
2 Ac
6 Ac
bDGlcpN 4.83 3.82 3.75 3.76 3.68 4.20-4.44
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,4,6,6 bDGalp 102.4/4.44 79.8/3.63 73.9/3.64 69.5/3.84 75.5/3.62 61.7/3.70-3.75
3,4,6 aDGlcp 98.6/4.92 72.4/3.53 73.5/3.76 70.0/3.57 71.5/3.79 68.7/3.90-4.08
3,4,2 Ac
3,4,3 Ac
3,4 aDGlcpN 99.5/4.95 52.4/4.12 74.6/5.08 68.2/3.83 71.3/4.43 65.5/3.61-4.05
3 aDGalpA 101.1/5.38 68.8/3.94 68.9/3.99 80.3/4.37 71.5/4.31
2 Ac
6 Ac
bDGlcpN 102.5/4.83 55.3/3.82 82.0/3.75 71.1/3.76 73.6/3.68 64.1/4.20-4.44
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,4,6,6 | bDGalp | 4.44 | 3.63 | 3.64 | 3.84 | 3.62 | 3.70
3.75 |
| 3,4,6 | aDGlcp | 4.92 | 3.53 | 3.76 | 3.57 | 3.79 | 3.90
4.08 |
| 3,4,2 | Ac | |
| 3,4,3 | Ac | |
| 3,4 | aDGlcpN | 4.95 | 4.12 | 5.08 | 3.83 | 4.43 | 3.61
4.05 |
| 3 | aDGalpA | 5.38 | 3.94 | 3.99 | 4.37 | 4.31 |
|
| 2 | Ac | |
| 6 | Ac | |
| | bDGlcpN | 4.83 | 3.82 | 3.75 | 3.76 | 3.68 | 4.20
4.44 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,4,6,6 | bDGalp | 102.4 | 79.8 | 73.9 | 69.5 | 75.5 | 61.7 |
| 3,4,6 | aDGlcp | 98.6 | 72.4 | 73.5 | 70.0 | 71.5 | 68.7 |
| 3,4,2 | Ac | |
| 3,4,3 | Ac | |
| 3,4 | aDGlcpN | 99.5 | 52.4 | 74.6 | 68.2 | 71.3 | 65.5 |
| 3 | aDGalpA | 101.1 | 68.8 | 68.9 | 80.3 | 71.5 | 174.3 |
| 2 | Ac | |
| 6 | Ac | |
| | bDGlcpN | 102.5 | 55.3 | 82.0 | 71.1 | 73.6 | 64.1 |
|
There is only one chemically distinct structure:
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Found 1 record.
Displayed record 1
