Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Host organism: Homo sapiens
Associated disease: nosocomial infections [ICD11:
XB25 
];
pneumonia [ICD11:
CA40 ];
wound infections [ICD11:
NF0A.3 ];
catheter-related urinary tract infections [ICD11:
GC08 ];
peritonitis [ICD11:
DC50 , ICD11:
XN9ZG ];
meningitis [ICD11:
1D01 ];
endocarditis [ICD11:
BB40 , ICD11:
BB4Z ];
bloodstream infections [ICD11:
MA15 ];
infection due to Acinetobacter baumannii [ICD11:
XN8LS ]
The structure was elucidated in this paperNCBI PubMed ID: 29886169Publication DOI: 10.1016/j.ijbiomac.2018.06.029Journal NLM ID: 7909578Publisher: Butterworth-Heinemann
Correspondence: yknirel
gmail.com
Institutions: N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russia, 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, Institute of Antimicrobial Chemotherapy, Smolensk State Medical University, Smolensk, Russia, Central Scientific Research Institute of Epidemiology, Moscow, Russia
A capsular polysaccharide (CPS) was isolated from strain MAR13-1452 of an emerging pathogen Acinetobacter baumannii and assigned type K125. The following structure of the CPS was established by sugar analysis, Smith degradation, and 1D and 2D 1H and 13C NMR spectroscopy: Proteins encoded by the KL125 gene cluster in the genome of MAR13-1452, including three glycosyltransferases, were assigned roles in the biosynthesis of the K125 CPS.
capsular polysaccharide, Acinetobacter baumannii, gene cluster, bacterial polysaccharide structure, capsule biosynthesis
Structure type: polymer chemical repeating unit
Location inside paper: abstract, p.1198, fig.1, CPS
Trivial name: K125 CPS
Compound class: CPS
Contained glycoepitopes: IEDB_130648,IEDB_137473,IEDB_1391961,IEDB_141584,IEDB_885822
Methods: 13C NMR, 1H NMR, NMR-2D, DNA sequencing, sugar analysis, acid hydrolysis, GLC, Smith degradation, mild alkaline degradation, GPC, bioinformatic analysis, function analysis of gene clusters
Enzymes that release or process the structure: Gtr198,(Gtr199),Gtr31: glycosyltransferases, Wzy - polymerase
Comments, role: NMR temperature: 303 or 313.
Related record ID(s): 13026
NCBI Taxonomy refs (TaxIDs): 470Reference(s) to other database(s): GTC:G70961ID
Show glycosyltransferases
NMR conditions: in D2O at 308 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,4,2 Ac 174.6-175.6 23.4-23.7
3,4 bDManpNA 101.5 54.9 74.0 75.9 77.8 ?
3,2 Ac 174.6-175.6 23.4-23.7
3,3,2 Ac 174.6-175.6 23.4-23.7
3,3 aDGalpN 100.0 50.9 69.3 70.1 72.9 63.0
3 aLFucpN 99.9 49.9 72.9 80.7 68.8 17.1
2 Ac 174.6-175.6 23.4-23.7
aDFucpN 99.3 50.0 74.5 72.5 68.3 16.6
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,4,2 Ac - 1.93-2.14
3,4 bDManpNA 4.85 4.59 4.03 3.83 3.82 -
3,2 Ac - 1.93-2.14
3,3,2 Ac - 1.93-2.14
3,3 aDGalpN 4.99 4.14 3.78 3.91 4.06 3.69-3.75
3 aLFucpN 4.90 4.29 4.06 4.06 4.08 1.22
2 Ac - 1.93-2.14
aDFucpN 5.15 4.27 3.87 3.72 4.02 1.17
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,4,2 Ac 23.4-23.7/1.93-2.14
3,4 bDManpNA 101.5/4.85 54.9/4.59 74.0/4.03 75.9/3.83 77.8/3.82
3,2 Ac 23.4-23.7/1.93-2.14
3,3,2 Ac 23.4-23.7/1.93-2.14
3,3 aDGalpN 100.0/4.99 50.9/4.14 69.3/3.78 70.1/3.91 72.9/4.06 63.0/3.69-3.75
3 aLFucpN 99.9/4.90 49.9/4.29 72.9/4.06 80.7/4.06 68.8/4.08 17.1/1.22
2 Ac 23.4-23.7/1.93-2.14
aDFucpN 99.3/5.15 50.0/4.27 74.5/3.87 72.5/3.72 68.3/4.02 16.6/1.17
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,4,2 | Ac |
| 1.93
2.14 | |
| 3,4 | bDManpNA | 4.85 | 4.59 | 4.03 | 3.83 | 3.82 |
|
| 3,2 | Ac |
| 1.93
2.14 | |
| 3,3,2 | Ac |
| 1.93
2.14 | |
| 3,3 | aDGalpN | 4.99 | 4.14 | 3.78 | 3.91 | 4.06 | 3.69
3.75 |
| 3 | aLFucpN | 4.90 | 4.29 | 4.06 | 4.06 | 4.08 | 1.22 |
| 2 | Ac |
| 1.93
2.14 | |
| | aDFucpN | 5.15 | 4.27 | 3.87 | 3.72 | 4.02 | 1.17 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,4,2 | Ac | 174.6
175.6 | 23.4
23.7 | |
| 3,4 | bDManpNA | 101.5 | 54.9 | 74.0 | 75.9 | 77.8 | ? |
| 3,2 | Ac | 174.6
175.6 | 23.4
23.7 | |
| 3,3,2 | Ac | 174.6
175.6 | 23.4
23.7 | |
| 3,3 | aDGalpN | 100.0 | 50.9 | 69.3 | 70.1 | 72.9 | 63.0 |
| 3 | aLFucpN | 99.9 | 49.9 | 72.9 | 80.7 | 68.8 | 17.1 |
| 2 | Ac | 174.6
175.6 | 23.4
23.7 | |
| | aDFucpN | 99.3 | 50.0 | 74.5 | 72.5 | 68.3 | 16.6 |
|
The spectrum also has 1 signal at unknown position (not plotted). |
There is only one chemically distinct structure:
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Found 1 record.
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