Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Host organism: Homo sapiens
Associated disease: bacterial pneumonia [ICD11:
CA40.0 
];
bacteremia [ICD11:
MA15.0 ];
infection due to Acinetobacter baumannii [ICD11:
XN8LS ]
The structure was elucidated in this paperNCBI PubMed ID: 24690675Publication DOI: 10.1016/j.carres.2014.03.001Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: E. Vinogradov <evguenii.vinogradov
nrc.ca>; L. MacLean <leann.maclean
nrc.ca>; H.H. Xu <hxu3
calstatela.edu>; W. Chen <wangxue.chen
nrc.ca>
Institutions: Human Health Therapeutics Portfolio, National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6, Canada, Department of Biological Sciences, California State University, 5151 State University Dr., Los Angeles, CA 90032-8201, USA
The structure of the surface polysaccharide from a hypervirulent for mice Acinetobacter baumannii strain LAC-4 was studied. The polysaccharide was built of trisaccharide repeating units containing α-l-fucosamine, α-d-glucosamine, and α-8-epi-legionaminic acid. The structure interpretation was based mostly on NMR data. Polysaccharide was obtained using a procedure of LPS O-chain preparation, although whether it is an LPS O-chain or capsular polysaccharide remained unclear.
NMR, LPS, structure, strain, polysaccharide, Acinetobacter, Acinetobacter baumannii, O-polysaccharide, PDF
Structure type: polymer chemical repeating unit
Location inside paper: p.44, scheme 1, PS, table 1
Compound class: CPS, cell wall polysaccharide
Contained glycoepitopes: IEDB_137340,IEDB_141807,IEDB_151531
Methods: 13C NMR, 1H NMR, NMR-2D, GC-MS, sugar analysis, mild acid hydrolysis, de-O-acylation with hydrazine, NMR-1D
Related record ID(s): 30523, 30524, 30525, 30526
NCBI Taxonomy refs (TaxIDs): 1455315Reference(s) to other database(s): GTC:G73006WP
Show glycosyltransferases
NMR conditions: in D2O at 323 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6 C7 C8 C9
8,3,2 Ac ? 23.3-23.5
8,3 aLFucpN 98.4 49.1 75.0 72.5 67.2 16.9
8,2 Ac ? 23.3-23.5
8 aDGlcpN 94.4 54.5 77.0 68.9 73.4 61.4
5 Ac ? 23.3-23.5
7 Ac ? 23.3-23.5
aX8eLegp ? 104.6 42.4 69.2 53.8 73.5 54.6 73.1 14.8
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6 H7 H8 H9
8,3,2 Ac - 1.96-2.05
8,3 aLFucpN 5.00 4.17 3.93 3.99 4.38 1.20
8,2 Ac - 1.96-2.05
8 aDGlcpN 4.87 4.03 3.63 3.63 3.53 3.86
5 Ac - 1.96-2.05
7 Ac - 1.96-2.05
aX8eLegp - - 1.64-2.63 3.53 3.68 4.07 3.92 3.73 1.31
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6 C7/H7 C8/H8 C9/H9
8,3,2 Ac 23.3-23.5/1.96-2.05
8,3 aLFucpN 98.4/5.00 49.1/4.17 75.0/3.93 72.5/3.99 67.2/4.38 16.9/1.20
8,2 Ac 23.3-23.5/1.96-2.05
8 aDGlcpN 94.4/4.87 54.5/4.03 77.0/3.63 68.9/3.63 73.4/3.53 61.4/3.86
5 Ac 23.3-23.5/1.96-2.05
7 Ac 23.3-23.5/1.96-2.05
aX8eLegp 42.4/1.64-2.63 69.2/3.53 53.8/3.68 73.5/4.07 54.6/3.92 73.1/3.73 14.8/1.31
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 | H7 | H8 | H9 |
|---|
| 8,3,2 | Ac |
| 1.96
2.05 | |
| 8,3 | aLFucpN | 5.00 | 4.17 | 3.93 | 3.99 | 4.38 | 1.20 | |
| 8,2 | Ac |
| 1.96
2.05 | |
| 8 | aDGlcpN | 4.87 | 4.03 | 3.63 | 3.63 | 3.53 | 3.86 | |
| 5 | Ac |
| 1.96
2.05 | |
| 7 | Ac |
| 1.96
2.05 | |
| | aX8eLegp |
|
| 1.64
2.63 | 3.53 | 3.68 | 4.07 | 3.92 | 3.73 | 1.31 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 | C7 | C8 | C9 |
|---|
| 8,3,2 | Ac | ? | 23.3
23.5 | |
| 8,3 | aLFucpN | 98.4 | 49.1 | 75.0 | 72.5 | 67.2 | 16.9 | |
| 8,2 | Ac | ? | 23.3
23.5 | |
| 8 | aDGlcpN | 94.4 | 54.5 | 77.0 | 68.9 | 73.4 | 61.4 | |
| 5 | Ac | ? | 23.3
23.5 | |
| 7 | Ac | ? | 23.3
23.5 | |
| | aX8eLegp | ? | 104.6 | 42.4 | 69.2 | 53.8 | 73.5 | 54.6 | 73.1 | 14.8 |
|
![](nmr_drawer.py?width=750&height=130&nucleus=C&rotate_labels=false&spectrum=[{"s":23.4,"l":"2","c":[0,0,0]},{"s":98.4,"l":"1","c":[0,0,225]},{"s":49.1,"l":"2","c":[0,0,225]},{"s":75,"l":"3","c":[0,0,225]},{"s":72.5,"l":"4","c":[0,0,225]},{"s":67.2,"l":"5","c":[0,0,225]},{"s":16.9,"l":"6","c":[0,0,225]},{"s":23.4,"l":"2","c":[0,0,0]},{"s":94.4,"l":"1","c":[230,0,30]},{"s":54.5,"l":"2","c":[230,0,30]},{"s":77,"l":"3","c":[230,0,30]},{"s":68.9,"l":"4","c":[230,0,30]},{"s":73.4,"l":"5","c":[230,0,30]},{"s":61.4,"l":"6","c":[230,0,30]},{"s":23.4,"l":"2","c":[0,0,0]},{"s":23.4,"l":"2","c":[0,0,0]},{"s":104.6,"l":"2","c":[0,165,0]},{"s":42.4,"l":"3","c":[0,165,0]},{"s":69.2,"l":"4","c":[0,165,0]},{"s":53.8,"l":"5","c":[0,165,0]},{"s":73.5,"l":"6","c":[0,165,0]},{"s":54.6,"l":"7","c":[0,165,0]},{"s":73.1,"l":"8","c":[0,165,0]},{"s":14.8,"l":"9","c":[0,165,0]}])
The spectrum also has 5 signals at unknown positions (not plotted). |
There is only one chemically distinct structure:
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Found 1 record.
Displayed record 1
