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: 25776191Publication DOI: 10.1016/j.carres.2015.02.006Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: yknirel
gmail.com
Institutions: N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russia, TEDA School of Biological Sciences and Biotechnology, Nankai University, TEDA, Tianjin, China, M. M. Shemyakin & Y. A. Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, Russia, State Research Center for Applied Microbiology and Biotechnology, Obolensk, Moscow Region, Russia
The capsular polysaccharide from Acinetobacter baumannii LUH5550 was studied by 1D and 2D (1)H and (13)C NMR spectroscopy. The following structure of the branched trisaccharide repeating unit was established: [structure: see text] where Pse5Ac7RHb indicates 5-acetamido-3,5,7,9-tetradeoxy-7-[(R)-3-hydroxybutanoylamino]-L-glycero-L-manno-non-2-ulosonic acid. The genes in the capsule biosynthesis locus designated KL42 are consistent with the structure established.
Acinetobacter baumannii, pseudaminic acid, capsular polysaccharide structure, polysaccharide gene locus
Structure type: polymer chemical repeating unit
Location inside paper: abstract, p.157, chart 2, A. baumannii LUH5550 (KL42)
Compound class: CPS
Contained glycoepitopes: IEDB_130648,IEDB_137473,IEDB_581504
Methods: 13C NMR, 1H NMR, NMR-2D, sugar analysis, GLC, mild acid hydrolysis, NMR-1D, GPC, bioinformatic analysis
Biosynthesis and genetic data: genetic data
Comments, role: A. baumannii LUH5550 (KL42, laboratory stock number G3782).
Related record ID(s): 30859, 30860, 30861
NCBI Taxonomy refs (TaxIDs): 470
Show glycosyltransferases
NMR conditions: in D2O at 293 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6 C7 C8 C9
3,4,7 lR3HOBut 174.9 46.4 66.2 23.4
3,4,5 Ac 175.9 23.3
3,4 aXPsep 176.3 101.7 36.4 66.5 50.0 72.3 54.9 68.8 17.6
3 bDRibp 105.9 71.3 82.7 73.5 62.7
2 Ac 175.8 23.6
bDGalpN 104.1 52.8 80.6 69.4 75.9 62.4
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6 H7 H8 H9
3,4,7 lR3HOBut - 2.34-2.38 4.17 1.23
3,4,5 Ac - 1.99
3,4 aXPsep - - 1.62-2.10 4.16 4.23 3.88 4.17 4.17 1.15
3 bDRibp 4.47 3.61 3.71 3.78 3.49-3.57
2 Ac - 2.02
bDGalpN 4.74 4.04 3.91 4.16 3.91 3.78
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6 C7/H7 C8/H8 C9/H9
3,4,7 lR3HOBut 46.4/2.34-2.38 66.2/4.17 23.4/1.23
3,4,5 Ac 23.3/1.99
3,4 aXPsep 36.4/1.62-2.10 66.5/4.16 50.0/4.23 72.3/3.88 54.9/4.17 68.8/4.17 17.6/1.15
3 bDRibp 105.9/4.47 71.3/3.61 82.7/3.71 73.5/3.78 62.7/3.49-3.57
2 Ac 23.6/2.02
bDGalpN 104.1/4.74 52.8/4.04 80.6/3.91 69.4/4.16 75.9/3.91 62.4/3.78
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 | H7 | H8 | H9 |
|---|
| 3,4,7 | lR3HOBut |
| 2.34
2.38 | 4.17 | 1.23 | |
| 3,4,5 | Ac |
| 1.99 | |
| 3,4 | aXPsep |
|
| 1.62
2.10 | 4.16 | 4.23 | 3.88 | 4.17 | 4.17 | 1.15 |
| 3 | bDRibp | 4.47 | 3.61 | 3.71 | 3.78 | 3.49
3.57 | |
| 2 | Ac |
| 2.02 | |
| | bDGalpN | 4.74 | 4.04 | 3.91 | 4.16 | 3.91 | 3.78 | |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 | C7 | C8 | C9 |
|---|
| 3,4,7 | lR3HOBut | 174.9 | 46.4 | 66.2 | 23.4 | |
| 3,4,5 | Ac | 175.9 | 23.3 | |
| 3,4 | aXPsep | 176.3 | 101.7 | 36.4 | 66.5 | 50.0 | 72.3 | 54.9 | 68.8 | 17.6 |
| 3 | bDRibp | 105.9 | 71.3 | 82.7 | 73.5 | 62.7 | |
| 2 | Ac | 175.8 | 23.6 | |
| | bDGalpN | 104.1 | 52.8 | 80.6 | 69.4 | 75.9 | 62.4 | |
|
There is only one chemically distinct structure:
Found 
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