Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Host organism: Homo sapiens
Associated disease: nosocomial infections [ICD11:
XB25 
];
infection due to Acinetobacter baumannii [ICD11:
XN8LS ]
The structure was elucidated in this paperNCBI PubMed ID: 19187931Publication DOI: 10.1016/j.carres.2008.12.026Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: E. Vinogradov <evguenii.vinogradov
nrc.ca>
Institutions: Institute for Biological Sciences, National Research Council Canada, 100 Sussex Dr., Ottawa, ON, Canada K1A 0R6
The gram-negative bacterium Acinetobacter baumannii strain ATCC17961 has been used by several laboratories in mouse models of respiratory A. baumannii infection, and a study of the role of its lipopolysaccharide in the pathogenicity is of interest. The structure of the O-deacylated polysaccharide O-chain component of its LPS has been determined by 2D NMR spectroscopy and mass spectrometry methods, and by the structural identification of oligosaccharides obtained by sequential application of the Smith degradation of the O-antigen. The O-chain was determined to be a polymer of a branched pentasaccharide repeating unit composed of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid, 2-acetamido-2-deoxy-d-glucose, 2-acetamido-2-deoxy-d-galactose, d-glucose, and d-galactose, and has the following structure: (see text).
Lipopolysaccharide, NMR, LPS, structure, polysaccharide, O-antigen, Acinetobacter, Baumannii
Structure type: oligomer
Location inside paper: p.475, chart 1, structure 2
Contained glycoepitopes: IEDB_130648,IEDB_136906,IEDB_137472,IEDB_137473,IEDB_141794,IEDB_151528,IEDB_190606,SB_21,SB_7
Methods: 13C NMR, 1H NMR, GLC-MS, NMR-2D, HF solvolysis, SDS-PAGE, sugar analysis, ESI-MS, Smith degradation, NMR-1D, methanolysis, hydrazinolysis
Comments, role: first Smith degradation of O-PS.
Related record ID(s): 23780, 24090, 24092, 24093, 24287
NCBI Taxonomy refs (TaxIDs): 470
Show glycosyltransferases
NMR conditions: in D2O at 303 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
1,3,2 Ac
1,3 bDGalpN 105.2 52.8 72.3 69.0 76.3 62.4
1,4,2 Ac
1,4,3 Ac
1,4 bDGlcpN3NA 102.5 54.6 55.8 70.8 ? 172.6
1 aDGalp 99.8 68.3 81.3 77.0 71.4 61.7
xDGro 69.6 71.3 63.8
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
1,3,2 Ac
1,3 bDGalpN 4.56 3.99 3.72 3.95 3.68 3.8-3.85
1,4,2 Ac
1,4,3 Ac
1,4 bDGlcpN3NA 5.12 3.84 4.06 3.64 ? -
1 aDGalp 4.90 3.71 3.93 4.38 3.94 3.67-3.73
xDGro 3.58-3.74 3.94 3.65
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
1,3,2 Ac
1,3 bDGalpN 105.2/4.56 52.8/3.99 72.3/3.72 69.0/3.95 76.3/3.68 62.4/3.8-3.85
1,4,2 Ac
1,4,3 Ac
1,4 bDGlcpN3NA 102.5/5.12 54.6/3.84 55.8/4.06 70.8/3.64 ?/?
1 aDGalp 99.8/4.90 68.3/3.71 81.3/3.93 77.0/4.38 71.4/3.94 61.7/3.67-3.73
xDGro 69.6/3.58-3.74 71.3/3.94 63.8/3.65
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 1,3,2 | Ac | |
| 1,3 | bDGalpN | 4.56 | 3.99 | 3.72 | 3.95 | 3.68 | 3.8
3.85 |
| 1,4,2 | Ac | |
| 1,4,3 | Ac | |
| 1,4 | bDGlcpN3NA | 5.12 | 3.84 | 4.06 | 3.64 | ? |
|
| 1 | aDGalp | 4.90 | 3.71 | 3.93 | 4.38 | 3.94 | 3.67
3.73 |
| | xDGro | 3.58
3.74 | 3.94 | 3.65 | |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 1,3,2 | Ac | |
| 1,3 | bDGalpN | 105.2 | 52.8 | 72.3 | 69.0 | 76.3 | 62.4 |
| 1,4,2 | Ac | |
| 1,4,3 | Ac | |
| 1,4 | bDGlcpN3NA | 102.5 | 54.6 | 55.8 | 70.8 | ? | 172.6 |
| 1 | aDGalp | 99.8 | 68.3 | 81.3 | 77.0 | 71.4 | 61.7 |
| | xDGro | 69.6 | 71.3 | 63.8 | |
|
![](nmr_drawer.py?width=750&height=130&nucleus=C&rotate_labels=false&spectrum=[{"s":105.2,"l":"1","c":[0,0,225]},{"s":52.8,"l":"2","c":[0,0,225]},{"s":72.3,"l":"3","c":[0,0,225]},{"s":69,"l":"4","c":[0,0,225]},{"s":76.3,"l":"5","c":[0,0,225]},{"s":62.4,"l":"6","c":[0,0,225]},{"s":102.5,"l":"1","c":[230,0,30]},{"s":54.6,"l":"2","c":[230,0,30]},{"s":55.8,"l":"3","c":[230,0,30]},{"s":70.8,"l":"4","c":[230,0,30]},{"s":172.6,"l":"6","c":[230,0,30]},{"s":99.8,"l":"1","c":[0,165,0]},{"s":68.3,"l":"2","c":[0,165,0]},{"s":81.3,"l":"3","c":[0,165,0]},{"s":77,"l":"4","c":[0,165,0]},{"s":71.4,"l":"5","c":[0,165,0]},{"s":61.7,"l":"6","c":[0,165,0]},{"s":69.6,"l":"1","c":[120,0,225]},{"s":71.3,"l":"2","c":[120,0,225]},{"s":63.8,"l":"3","c":[120,0,225]}])
The spectrum also has 1 signal at unknown position (not plotted). |
There is only one chemically distinct structure:
Found 
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