Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Host organism: Homo sapiens
Associated disease: nosocomial infections [ICD11:
XB25 
];
osteomyelitis [ICD11:
FB84 ];
infection due to Acinetobacter baumannii [ICD11:
XN8LS ]
The structure was elucidated in this paperNCBI PubMed ID: 25816997Publication DOI: 10.1016/j.carres.2015.02.011Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: yknirel
gmail.com
Institutions: State Research Center for Applied Microbiology and Biotechnology, Obolensk, Moscow Region, Russia, M. M. Shemyakin and Y. A. Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, Russia, ND. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russia
Capsular polysaccharide was isolated by the phenol-water extraction of Acinetobacter baumannii AB5075 and studied by 1D and 2D (1)H and (13)C NMR spectroscopy. The following structure of the linear trisaccharide repeating unit was established: →3)-β-D-ManpNAcA-(1→4)-β-D-ManpNAcA-(1→3)-α-D-QuipNAc4NR-(1→ where R indicates (S)-3-hydroxybutanoyl or acetyl in the ratio ∼ 2.5:1. The genes in the polysaccharide biosynthesis locus designated KL25 are appropriate to the established CPS structure.
Acinetobacter baumannii, capsular polysaccharide structure, polysaccharide gene locus
Structure type: polymer chemical repeating unit
Location inside paper: abstract, p.10, A. baumannii AB5075 (KL25)
Compound class: CPS
Methods: 13C NMR, 1H NMR, NMR-2D, sugar analysis, acid hydrolysis, GLC, NMR-1D, GPC, bioinformatic analysis
Biosynthesis and genetic data: genetic data
Comments, role: NMR data for aDQuipNAc4N71%lS3HOBut, and for aDQuipNAc4N29%Ac residue: 1H: 5.04 4.02 3.77 3.61 3.98 1.17; 13C: 101.0 54.6 78.9 56.8 69.0 18.1.
NCBI Taxonomy refs (TaxIDs): 1116234
Show glycosyltransferases
NMR conditions: in D2O at 273 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,4,2 Ac 176.1 23.4
3,4 bDManpNA 99.8 53.9 80.1-80.2 69.4 76.7 174.5-174.7
3,2 Ac 176.2 23.25
3 bDManpNA 100.9-101.0 54.2 71.7 78.7 76.3 174.5-174.7
2 Ac 175.3 23.2
aDQuipN4N 101.0 54.6 78.6 56.5 68.9 18.0
4 29%Ac 175.5 23.3
4 71%lS3HOBut 175.5 46.4 66.4 23.7
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,4,2 Ac - 2.08
3,4 bDManpNA 4.75 4.50 3.82 3.82 3.89 -
3,2 Ac - 1.99
3 bDManpNA 4.74-4.76 4.31 3.81-3.84 3.75 3.83 -
2 Ac - 2.01
aDQuipN4N 5.04 4.02 3.80 3.66 3.97 1.18
4 29%Ac - 1.98
4 71%lS3HOBut - 2.33-2.42 4.22 1.24
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,4,2 Ac 23.4/2.08
3,4 bDManpNA 99.8/4.75 53.9/4.50 80.1-80.2/3.82 69.4/3.82 76.7/3.89
3,2 Ac 23.25/1.99
3 bDManpNA 100.9-101.0/4.74-4.76 54.2/4.31 71.7/3.81-3.84 78.7/3.75 76.3/3.83
2 Ac 23.2/2.01
aDQuipN4N 101.0/5.04 54.6/4.02 78.6/3.80 56.5/3.66 68.9/3.97 18.0/1.18
4 29%Ac 23.3/1.98
4 71%lS3HOBut 46.4/2.33-2.42 66.4/4.22 23.7/1.24
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,4,2 | Ac |
| 2.08 | |
| 3,4 | bDManpNA | 4.75 | 4.50 | 3.82 | 3.82 | 3.89 |
|
| 3,2 | Ac |
| 1.99 | |
| 3 | bDManpNA | 4.74
4.76 | 4.31 | 3.81
3.84 | 3.75 | 3.83 |
|
| 2 | Ac |
| 2.01 | |
| | aDQuipN4N | 5.04 | 4.02 | 3.80 | 3.66 | 3.97 | 1.18 |
| 4 | 29%Ac |
| 1.98 | |
| 4 | 71%lS3HOBut |
| 2.33
2.42 | 4.22 | 1.24 | |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,4,2 | Ac | 176.1 | 23.4 | |
| 3,4 | bDManpNA | 99.8 | 53.9 | 80.1
80.2 | 69.4 | 76.7 | 174.5
174.7 |
| 3,2 | Ac | 176.2 | 23.25 | |
| 3 | bDManpNA | 100.9
101.0 | 54.2 | 71.7 | 78.7 | 76.3 | 174.5
174.7 |
| 2 | Ac | 175.3 | 23.2 | |
| | aDQuipN4N | 101.0 | 54.6 | 78.6 | 56.5 | 68.9 | 18.0 |
| 4 | 29%Ac | 175.5 | 23.3 | |
| 4 | 71%lS3HOBut | 175.5 | 46.4 | 66.4 | 23.7 | |
|
There is only one chemically distinct structure:
Found 
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