Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Host organism: Homo sapiens
Associated disease: cystic fibrosis (CF) [ICD11:
CA25 
]
The structure was elucidated in this paperNCBI PubMed ID: 19533713Publication DOI: 10.1002/chem.200900647Publisher: Vch Verlagsgesellschaft
Correspondence: silipo
unina.it
Institutions: Dipartimento di Chimica Organica e Biochimica, Universita di Napoli 'Federico II', Complesso Universitario Monte S. Angelo, Via Cintia 4, 80126 Napoli (Italy), Fax: (+39) 081-674-393
Lipopolysaccharides (LPSs) are virulence factors expressed by Gram-negative bacteria; they are among those mainly responsible for bacterial virulence. In this work we define the primary structure and the conformational features of the O-chain from the LPS produced by the highly virulent clinical isolate Burkholderia multivorans strain C1576, an opportunistic human pathogen isolated in a cystic fibrosis center and causative of an outbreak with lethal outcome. We demonstrate that the LPS from this clinical isolate consists of two O-polysaccharide chains present in different amounts and made up of repeating units, both containing deoxy sugar. Additionally, conformational studies have been performed to establish and compare the spatial arrangements of the two polysaccharides and differences in their shape have been highlighted. The comprehension of the structural and conformational features of the two repeating units may help to explain their biological significance, the molecular shape of the bacterial external surface, and the comprehension at the molecular level of the recognition mechanisms of the antibodies.
lipopolysaccharides, NMR spectroscopy, molecular modeling, cystic fibrosis, Burkholderia multivorans
Structure type: polymer chemical repeating unit ; n=8
Location inside paper: p.7159 (species Y), p.7160
Compound class: O-polysaccharide, O-antigen
Contained glycoepitopes: IEDB_130701,IEDB_136104,IEDB_1394181,IEDB_143632,IEDB_144983,IEDB_152206,IEDB_983930,SB_136,SB_196,SB_44,SB_67,SB_72
Methods: 13C NMR, 1H NMR, NMR-2D, GC-MS, SDS-PAGE, MD simulations, composition analysis, NMR-1D, molecular modeling, molecular mechanics
Comments, role: repeating units (species Y) - 60% in mixture of two O-chains
3D data: 3D data
Related record ID(s): 24010
NCBI Taxonomy refs (TaxIDs): 87883Reference(s) to other database(s): GTC:G13263FN, GlycomeDB:
37273
Show glycosyltransferases
NMR conditions: in D2O at 300 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,2 aDManp 100.5 78.2 69.9 66.7 73.3 60.7
3,3 40%Me 56.8
3 aDRhap 100.5 78.6 69.9 72.1 69.1 16.5
aDManp 101.9 69.7 78.4 65.9 73.2 60.7
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,2 aDManp 5.22 4.04 3.87 3.68 3.59 3.69-3.76
3,3 40%Me 3.41
3 aDRhap 5.17 4.02 3.87 3.41 3.77 1.22
aDManp 4.97 4.08 3.80 3.70 3.72 3.65-3.71
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,2 aDManp 100.5/5.22 78.2/4.04 69.9/3.87 66.7/3.68 73.3/3.59 60.7/3.69-3.76
3,3 40%Me 56.8/3.41
3 aDRhap 100.5/5.17 78.6/4.02 69.9/3.87 72.1/3.41 69.1/3.77 16.5/1.22
aDManp 101.9/4.97 69.7/4.08 78.4/3.80 65.9/3.70 73.2/3.72 60.7/3.65-3.71
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,2 | aDManp | 5.22 | 4.04 | 3.87 | 3.68 | 3.59 | 3.69
3.76 |
| 3,3 | 40%Me | 3.41 | |
| 3 | aDRhap | 5.17 | 4.02 | 3.87 | 3.41 | 3.77 | 1.22 |
| | aDManp | 4.97 | 4.08 | 3.80 | 3.70 | 3.72 | 3.65
3.71 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,2 | aDManp | 100.5 | 78.2 | 69.9 | 66.7 | 73.3 | 60.7 |
| 3,3 | 40%Me | 56.8 | |
| 3 | aDRhap | 100.5 | 78.6 | 69.9 | 72.1 | 69.1 | 16.5 |
| | aDManp | 101.9 | 69.7 | 78.4 | 65.9 | 73.2 | 60.7 |
|
There is only one chemically distinct structure:
Found 
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