Taxonomic group: bacteria / Firmicutes
(Phylum: Firmicutes)
Associated disease: infection due to Streptococcus pneumoniae [ICD11:
XN3PW 
]
The structure was elucidated in this paperNCBI PubMed ID: 9432005Publication DOI: 10.1111/j.1432-1033.1997.00163.xJournal NLM ID: 0107600Publisher: Oxford, UK: Blackwell Science Ltd. on behalf of the Federation of European Biochemical Societies
Institutions: Institute for Biological Sciences, National Research Council of Canada, Ottawa ON
The specific polysaccharide antigen of Streptococcus pneumoniae serotype 35A was shown, by a combination of one- and two-dimensional NMR methods and chemical analyses, to be a high-molecular-mass polymer composed of D-galactose, D-glucose, mannitol, and phosphate (3:1:1:1). The pentasaccharide repeating unit is polymerized through phosphate diester linkages to give the structure, [formula in text] O-Acetyl substituents are present at positions 5 and 6 of the 3)-β-D-Galf residue and at position 2 of the 6)-β-D-Galf residue. The capsular polysaccharides of S. pneumoniae serotypes 20 and 35A both contain the disaccharide unit →3)-β-D-Galf-(1→3)-β-D-Glcp-(1→ which is the probable structural determinant responsible for the serological cross reactivity of the two polysaccharides
structure, Streptococcus pneumoniae, antigenic determinant, capsular polysaccharides
Structure type: polymer chemical repeating unit
Location inside paper: Tables 1 and 2, O-deacylated polysaccharide
Compound class: CPS
Contained glycoepitopes: IEDB_114705,IEDB_136044,IEDB_136095,IEDB_137472,IEDB_141794,IEDB_142488,IEDB_146664,IEDB_190606,IEDB_983931,SB_165,SB_166,SB_187,SB_192,SB_195,SB_7,SB_88
Methods: FAB-MS, GC-MS, GC-EI-MS, NMR, HF solvolysis, de-O-acylation
Comments, role: the O-deacylated CPS
Related record ID(s): 1611, 1928
NCBI Taxonomy refs (TaxIDs): 1313Reference(s) to other database(s): GTC:G54845HY, GlycomeDB:
25518
Show glycosyltransferases
NMR conditions: in D2O at 300 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
0,1,6,3,3 bDGalp 103.1 70.5 78.3 68.5 75.7 61.1
0,1,6,3 bDGalf 109.0 80.7 85.2 82.8 71.0 63.6
0,1,6 bDGlcp 103.4 74.2 82.5 68.8 76.6 61.8
0,1 bDGalf 108.8 81.7 77.6 73.9 70.5 72.3
0 xDMan-ol 70.5 70.5 69.2 69.8 70.2 68.1
P
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
0,1,6,3,3 bDGalp 4.64 3.69 4.16 4.17 3.78 3.80
0,1,6,3 bDGalf 5.34 4.37 4.34 4.28 3.98 3.68-3.71
0,1,6 bDGlcp 4.54 3.48 3.68 3.46 3.51 3.74-3.93
0,1 bDGalf 5.05 4.14 4.10 4.02 3.77 3.77-4.07
0 xDMan-ol 3.67-3.88 4.04 3.88 3.86 3.88 4.10
P
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
0,1,6,3,3 bDGalp 103.1/4.64 70.5/3.69 78.3/4.16 68.5/4.17 75.7/3.78 61.1/3.80
0,1,6,3 bDGalf 109.0/5.34 80.7/4.37 85.2/4.34 82.8/4.28 71.0/3.98 63.6/3.68-3.71
0,1,6 bDGlcp 103.4/4.54 74.2/3.48 82.5/3.68 68.8/3.46 76.6/3.51 61.8/3.74-3.93
0,1 bDGalf 108.8/5.05 81.7/4.14 77.6/4.10 73.9/4.02 70.5/3.77 72.3/3.77-4.07
0 xDMan-ol 70.5/3.67-3.88 70.5/4.04 69.2/3.88 69.8/3.86 70.2/3.88 68.1/4.10
P
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 0,1,6,3,3 | bDGalp | 4.64 | 3.69 | 4.16 | 4.17 | 3.78 | 3.80 |
| 0,1,6,3 | bDGalf | 5.34 | 4.37 | 4.34 | 4.28 | 3.98 | 3.68
3.71 |
| 0,1,6 | bDGlcp | 4.54 | 3.48 | 3.68 | 3.46 | 3.51 | 3.74
3.93 |
| 0,1 | bDGalf | 5.05 | 4.14 | 4.10 | 4.02 | 3.77 | 3.77
4.07 |
| 0 | xDMan-ol | 3.67
3.88 | 4.04 | 3.88 | 3.86 | 3.88 | 4.10 |
| | P | |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 0,1,6,3,3 | bDGalp | 103.1 | 70.5 | 78.3 | 68.5 | 75.7 | 61.1 |
| 0,1,6,3 | bDGalf | 109.0 | 80.7 | 85.2 | 82.8 | 71.0 | 63.6 |
| 0,1,6 | bDGlcp | 103.4 | 74.2 | 82.5 | 68.8 | 76.6 | 61.8 |
| 0,1 | bDGalf | 108.8 | 81.7 | 77.6 | 73.9 | 70.5 | 72.3 |
| 0 | xDMan-ol | 70.5 | 70.5 | 69.2 | 69.8 | 70.2 | 68.1 |
| | P | |
|
There is only one chemically distinct structure:
Found 
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