Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Brucella melitensis [ICD11:
XN7ZW 
];
infection due to Brucella abortus [ICD11:
XN7A8 ];
infection due to Brucella suis [ICD11:
XN3UP ]
The structure was elucidated in this paperNCBI PubMed ID: 23664729Publication DOI: 10.1016/j.carres.2013.03.021Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: E. Vinogradov <evguenii.vinogradov
nrc.ca>
Institutions: Eunice Kennedy Shriver National Institute of Child Health and Human Development, National Institutes of Health, Bethesda, MD, USA
O-Specific polysaccharides of Brucella contain two antigenic determinants, called A and M. Most of the strains express epitope A with a small amount of epitope M, whereas Brucella melitensis strain 16M expresses longer polymer consisting mostly of M-type epitopes. Proposed explanation was that epitope A is defined by 1-2-linked homopolymer of N-formylperosamine (Rha4NFo), while epitope M is a pentasaccharide with four 2- and one 3-substituted Rha4NFo. We reinvestigated both types of structures by 2D NMR and showed that M-epitope is a tetrasaccharide, missing one of the 2-linked Rha4NFo as compared to the previously proposed structure. Polysaccharide from B. melitensis 16M contains a fragment of 1-2-linked polymer, capped with M-type polymer. Other strains contain one or two M-type units at the non-reducing end of the 1-2-linked O-chain.
NMR, LPS, structure, O-antigens, O-specific, O-specific polysaccharide, Brucella, MS, Brucella melitensis
Structure type: oligomer
Location inside paper: p.144
Compound class: O-polysaccharide
Methods: 13C NMR, 1H NMR, NMR-2D, GC-MS, sugar analysis, MALDI-TOF MS, NMR-1D, N-acetylation, de-N-acelation
Comments, role: Terminal part of the N-deformylated polysaccharide structure (see RR: 29630). NMR data for B. melitensis 16M.
Related record ID(s): 29248, 29626, 29627, 29629, 29630, 29631
NCBI Taxonomy refs (TaxIDs): 29459,
235,
29461
Show glycosyltransferases
NMR conditions: in D2O at 298 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
2,2,3,2 aDRhap4N 101.5 69.6 67.1 54.9 67.0 18.0
2,2,3 aDRhap4N 101.5 78.5 67.1 54.9 67.4 18.0
2,2 aDRhap4N 103.0 68.9 77.5 53.3 67.0 18.0
2 aDRhap4N 101.3 77.5 67.1 54.9 67.0 18.0
Subst
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
2,2,3,2 aDRhap4N 5.13 4.12 4.03 3.22 4.12 1.37
2,2,3 aDRhap4N 5.26 4.25 4.20 3.29 4.30 1.39
2,2 aDRhap4N 5.10 4.33 4.21 3.38 4.12 1.39
2 aDRhap4N 5.29 4.20 4.18 3.26 4.05 1.36
Subst
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
2,2,3,2 aDRhap4N 101.5/5.13 69.6/4.12 67.1/4.03 54.9/3.22 67.0/4.12 18.0/1.37
2,2,3 aDRhap4N 101.5/5.26 78.5/4.25 67.1/4.20 54.9/3.29 67.4/4.30 18.0/1.39
2,2 aDRhap4N 103.0/5.10 68.9/4.33 77.5/4.21 53.3/3.38 67.0/4.12 18.0/1.39
2 aDRhap4N 101.3/5.29 77.5/4.20 67.1/4.18 54.9/3.26 67.0/4.05 18.0/1.36
Subst
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 2,2,3,2 | aDRhap4N | 5.13 | 4.12 | 4.03 | 3.22 | 4.12 | 1.37 |
| 2,2,3 | aDRhap4N | 5.26 | 4.25 | 4.20 | 3.29 | 4.30 | 1.39 |
| 2,2 | aDRhap4N | 5.10 | 4.33 | 4.21 | 3.38 | 4.12 | 1.39 |
| 2 | aDRhap4N | 5.29 | 4.20 | 4.18 | 3.26 | 4.05 | 1.36 |
| | Subst | |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 2,2,3,2 | aDRhap4N | 101.5 | 69.6 | 67.1 | 54.9 | 67.0 | 18.0 |
| 2,2,3 | aDRhap4N | 101.5 | 78.5 | 67.1 | 54.9 | 67.4 | 18.0 |
| 2,2 | aDRhap4N | 103.0 | 68.9 | 77.5 | 53.3 | 67.0 | 18.0 |
| 2 | aDRhap4N | 101.3 | 77.5 | 67.1 | 54.9 | 67.0 | 18.0 |
| | Subst | |
|
There is only one chemically distinct structure:
Found 
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