Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Acinetobacter baumannii [ICD11:
XN8LS 
]
The structure was elucidated in this paperNCBI PubMed ID: 28578199Publication DOI: 10.1016/j.carres.2017.05.017Journal 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, Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region, Russia, School of Life and Environmental Sciences, The University of Sydney, Sydney, Australia, Institute of Health and Biomedical Innovation, School of Biomedical Sciences, Queensland University of Technology, Brisbane, Australia
Capsular polysaccharides were isolated from A. baumannii LUH5535 (K35 CPS) and LUH5554 (K15 CPS) and studied by 1D and 2D 1H and 13C NMR spectroscopy. The CPSs were found to consist of linear tetrasaccharide repeats (K units) containing 2-acetamido-2-deoxy-d-galacturonic acid (K35) or 2,3-diacetamido-2,3-deoxy-d-glucuronic acid (K15) and 2,4-diacetamido-2,4,6-trideoxy-d-glucose (both CPSs). The K35 unit includes three O-acetyl groups on different GalNAcA residues. A. baumannii LUH5535 and LUH5554 carry the KL35 and KL15 gene clusters, respectively, and putatively assigned functions of genes in these clusters were consistent with the CPS structures established.
Acinetobacter baumannii, capsular polysaccharide structure, 2, 4-diacetamido-2, 4, 6-trideoxy-D-glucose, 2-acetamido-2-deoxy-D-galacturonic acid, 3-diacetamido-2, Enterobacter cloacae, K locus, 3-deoxy-d-glucuronic acid
Structure type: polymer chemical repeating unit
Location inside paper: table 1, p.32, chart 1, CPS K35 (2)
Compound class: CPS
Contained glycoepitopes: IEDB_142345
Methods: 13C NMR, 1H NMR, NMR-2D, sugar analysis, acid hydrolysis, mild alkaline degradation, GPC, bioinformatic analysis
Comments, role: A. baumannii LUH5535 K35 (laboratory stock number G4767)
Related record ID(s): 11962, 12231
NCBI Taxonomy refs (TaxIDs): 470Reference(s) to other database(s): GTC:G11173NS
Show glycosyltransferases
NMR conditions: in D2O at 328 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,4,4,2 Ac 172.8-176.1 23.5-24.0
3,4,4,4 Ac 172.8-176.1 21.1-21.7
3,4,4 aDGalpNA 100.8 49.7 73.6 72.8 71.4 ?
3,4,2 Ac 172.8-176.1 23.5-24.0
3,4,3 Ac 172.8-176.1 23.5-24.0
3,4 aDGalpNA 100.3 48.6-48.8 70.6 78.2 72.5 ?
3,2 Ac 172.8-176.1 23.5-24.0
3,3 Ac 172.8-176.1 23.5-24.0
3 aDGalpNA 98.8 48.6-48.8 70.8 77.4 72.2 ?
2 Ac 172.8-176.1 23.5-24.0
4 Ac 172.8-176.1 23.5-24.0
bDQuipN4N 102.2 56.2 77.8 58.1 72.2 17.8
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,4,4,2 Ac - 1.92-2.02
3,4,4,4 Ac - 2.07-2.13
3,4,4 aDGalpNA 5.01 4.34 4.23 5.78 4.82 -
3,4,2 Ac - 1.92-2.02
3,4,3 Ac - 2.07-2.13
3,4 aDGalpNA 5.14 4.50 5.31 4.60 4.79 -
3,2 Ac - 1.92-2.02
3,3 Ac - 2.07-2.13
3 aDGalpNA 5.25 4.50 5.10 4.61 4.26 -
2 Ac - 1.92-2.02
4 Ac - 1.92-2.02
bDQuipN4N 4.59 3.68 3.87 3.76 3.49 1.14
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,4,4,2 Ac 23.5-24.0/1.92-2.02
3,4,4,4 Ac 21.1-21.7/2.07-2.13
3,4,4 aDGalpNA 100.8/5.01 49.7/4.34 73.6/4.23 72.8/5.78 71.4/4.82
3,4,2 Ac 23.5-24.0/1.92-2.02
3,4,3 Ac 23.5-24.0/2.07-2.13
3,4 aDGalpNA 100.3/5.14 48.6-48.8/4.50 70.6/5.31 78.2/4.60 72.5/4.79
3,2 Ac 23.5-24.0/1.92-2.02
3,3 Ac 23.5-24.0/2.07-2.13
3 aDGalpNA 98.8/5.25 48.6-48.8/4.50 70.8/5.10 77.4/4.61 72.2/4.26
2 Ac 23.5-24.0/1.92-2.02
4 Ac 23.5-24.0/1.92-2.02
bDQuipN4N 102.2/4.59 56.2/3.68 77.8/3.87 58.1/3.76 72.2/3.49 17.8/1.14
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,4,4,2 | Ac |
| 1.92
2.02 | |
| 3,4,4,4 | Ac |
| 2.07
2.13 | |
| 3,4,4 | aDGalpNA | 5.01 | 4.34 | 4.23 | 5.78 | 4.82 |
|
| 3,4,2 | Ac |
| 1.92
2.02 | |
| 3,4,3 | Ac |
| 2.07
2.13 | |
| 3,4 | aDGalpNA | 5.14 | 4.50 | 5.31 | 4.60 | 4.79 |
|
| 3,2 | Ac |
| 1.92
2.02 | |
| 3,3 | Ac |
| 2.07
2.13 | |
| 3 | aDGalpNA | 5.25 | 4.50 | 5.10 | 4.61 | 4.26 |
|
| 2 | Ac |
| 1.92
2.02 | |
| 4 | Ac |
| 1.92
2.02 | |
| | bDQuipN4N | 4.59 | 3.68 | 3.87 | 3.76 | 3.49 | 1.14 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,4,4,2 | Ac | 172.8
176.1 | 23.5
24.0 | |
| 3,4,4,4 | Ac | 172.8
176.1 | 21.1
21.7 | |
| 3,4,4 | aDGalpNA | 100.8 | 49.7 | 73.6 | 72.8 | 71.4 | ? |
| 3,4,2 | Ac | 172.8
176.1 | 23.5
24.0 | |
| 3,4,3 | Ac | 172.8
176.1 | 23.5
24.0 | |
| 3,4 | aDGalpNA | 100.3 | 48.6
48.8 | 70.6 | 78.2 | 72.5 | ? |
| 3,2 | Ac | 172.8
176.1 | 23.5
24.0 | |
| 3,3 | Ac | 172.8
176.1 | 23.5
24.0 | |
| 3 | aDGalpNA | 98.8 | 48.6
48.8 | 70.8 | 77.4 | 72.2 | ? |
| 2 | Ac | 172.8
176.1 | 23.5
24.0 | |
| 4 | Ac | 172.8
176.1 | 23.5
24.0 | |
| | bDQuipN4N | 102.2 | 56.2 | 77.8 | 58.1 | 72.2 | 17.8 |
|
The spectrum also has 3 signals at unknown positions (not plotted). |
There is only one chemically distinct structure:
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