Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Acinetobacter baumannii [ICD11:
XN8LS 
]
The structure was elucidated in this paperNCBI PubMed ID: 11856300Journal NLM ID: 0107600Publisher: Oxford, UK: Blackwell Science Ltd. on behalf of the Federation of European Biochemical Societies
Correspondence: oholst
fz-borstel.de
Institutions: Department of Chemistry, Carlsberg Laboratory, Valby, Copenhagen, Denmark
The chemical structure of the phosphorylated carbohydrate backbone of the lipopolysaccharide (LPS) from Acinetobacter baumannii strain ATCC 19606 was investigated by chemical analysis and NMR spectroscopy of oligosaccharides obtained after deacylation or mild acid hydrolysis. From the combined information the following carbohydrate backbones can be deduced: where R1 = H and R2 = α-Glcp-(1→2)-β-Glcp-(1→4)-β-Glcp-(1→4)-β-Glcp-(1 as major and R1 = Ac and R2 = H as minor products. All monosaccharides are d-configured. Also, smaller oligosaccharide phosphates were identified that are thought to represent degradation products of the above structures
Lipopolysaccharide, Acinetobacter baumannii, NMR spectroscopy, structural analysis, core region
Structure type: oligomer
Location inside paper: p.423, fig.1, oligosaccharide 3
Compound class: core oligosaccharide
Contained glycoepitopes: IEDB_130650,IEDB_130659,IEDB_135394,IEDB_141807,IEDB_150908,IEDB_151531
Methods: NMR-2D, NMR, chemical methods
Comments, role: de-N-O-acylated LPS
3D data: 3D data
Related record ID(s): 5533, 5715, 5716, 5717, 5719, 5720
NCBI Taxonomy refs (TaxIDs): 575584Reference(s) to other database(s): GlycomeDB:
36795
Show glycosyltransferases
NMR conditions: in D2O at 300 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6 C7 C8
0,6,6,4 aXKdop 176.0 103.4 35.1 66.7 67.7 72.8 71.8 63.7
0,6,6,5,4 bL4dthrHexp4enNA 91.8 53.4 63.3 105.8 147.7 169.0
0,6,6,5,7 bDGlcpN 98.2 56.6 72.9 71.8 76.7 61.4
0,6,6,5 aXKdop 176.0 101.9 30.0 71.8 63.1 71.0 77.3 60.6
0,6,6 aXKdop 175.9 100.8 35.2 73.4 70.0 73.3 70.2 64.6
0,6,4 P
0,6 bDGlcpN 100.2 56.4 72.7 75.2 74.6 63.2
0 aDGlcpN 91.7 55.4 70.4 70.3 73.4 70.7
P
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6 H7 H8
0,6,6,4 aXKdop - - 1.96-2.06 3.99 3.95 3.68 3.94 3.69-3.90
0,6,6,5,4 bL4dthrHexp4enNA 5.45 3.54 4.45 5.88 - -
0,6,6,5,7 bDGlcpN 4.96 3.09 3.65 3.42 3.50 3.69-3.90
0,6,6,5 aXKdop - - 2.29-2.90 4.84 4.43 4.27 4.12 3.91-3.91
0,6,6 aXKdop - - 1.90-2.31 3.93 4.47 3.66 3.85 3.59-3.85
0,6,4 P
0,6 bDGlcpN 4.83 3.03 3.82 3.74 3.72 3.38-3.65
0 aDGlcpN 5.62 3.38 3.85 3.62 4.10 3.72-4.24
P
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6 C7/H7 C8/H8
0,6,6,4 aXKdop 35.1/1.96-2.06 66.7/3.99 67.7/3.95 72.8/3.68 71.8/3.94 63.7/3.69-3.90
0,6,6,5,4 bL4dthrHexp4enNA 91.8/5.45 53.4/3.54 63.3/4.45 105.8/5.88
0,6,6,5,7 bDGlcpN 98.2/4.96 56.6/3.09 72.9/3.65 71.8/3.42 76.7/3.50 61.4/3.69-3.90
0,6,6,5 aXKdop 30.0/2.29-2.90 71.8/4.84 63.1/4.43 71.0/4.27 77.3/4.12 60.6/3.91-3.91
0,6,6 aXKdop 35.2/1.90-2.31 73.4/3.93 70.0/4.47 73.3/3.66 70.2/3.85 64.6/3.59-3.85
0,6,4 P
0,6 bDGlcpN 100.2/4.83 56.4/3.03 72.7/3.82 75.2/3.74 74.6/3.72 63.2/3.38-3.65
0 aDGlcpN 91.7/5.62 55.4/3.38 70.4/3.85 70.3/3.62 73.4/4.10 70.7/3.72-4.24
P
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 | H7 | H8 |
|---|
| 0,6,6,4 | aXKdop |
|
| 1.96
2.06 | 3.99 | 3.95 | 3.68 | 3.94 | 3.69
3.90 |
| 0,6,6,5,4 | bL4dthrHexp4enNA | 5.45 | 3.54 | 4.45 | 5.88 |
|
| |
| 0,6,6,5,7 | bDGlcpN | 4.96 | 3.09 | 3.65 | 3.42 | 3.50 | 3.69
3.90 | |
| 0,6,6,5 | aXKdop |
|
| 2.29
2.90 | 4.84 | 4.43 | 4.27 | 4.12 | 3.91
3.91 |
| 0,6,6 | aXKdop |
|
| 1.90
2.31 | 3.93 | 4.47 | 3.66 | 3.85 | 3.59
3.85 |
| 0,6,4 | P | |
| 0,6 | bDGlcpN | 4.83 | 3.03 | 3.82 | 3.74 | 3.72 | 3.38
3.65 | |
| 0 | aDGlcpN | 5.62 | 3.38 | 3.85 | 3.62 | 4.10 | 3.72
4.24 | |
| | P | |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 | C7 | C8 |
|---|
| 0,6,6,4 | aXKdop | 176.0 | 103.4 | 35.1 | 66.7 | 67.7 | 72.8 | 71.8 | 63.7 |
| 0,6,6,5,4 | bL4dthrHexp4enNA | 91.8 | 53.4 | 63.3 | 105.8 | 147.7 | 169.0 | |
| 0,6,6,5,7 | bDGlcpN | 98.2 | 56.6 | 72.9 | 71.8 | 76.7 | 61.4 | |
| 0,6,6,5 | aXKdop | 176.0 | 101.9 | 30.0 | 71.8 | 63.1 | 71.0 | 77.3 | 60.6 |
| 0,6,6 | aXKdop | 175.9 | 100.8 | 35.2 | 73.4 | 70.0 | 73.3 | 70.2 | 64.6 |
| 0,6,4 | P | |
| 0,6 | bDGlcpN | 100.2 | 56.4 | 72.7 | 75.2 | 74.6 | 63.2 | |
| 0 | aDGlcpN | 91.7 | 55.4 | 70.4 | 70.3 | 73.4 | 70.7 | |
| | P | |
|
There is only one chemically distinct structure:
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Found 1 record.
Displayed record 1
