Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Klebsiella oxytoca [ICD11:
XN7WL 
]
The structure was elucidated in this paperPublication DOI: 10.1002/ejoc.200700302Journal NLM ID: 9805750Publisher: Wiley-VCH
Correspondence: decastro
unina.it
Institutions: Department of Organic Chemistry and Biochemistry, University of Naples, Complesso Universitario Monte Sant’ Angelo,Via Cintia 4, 80126 Napoli, Italy Department Environmental Sciences, Ca Foscari University, Calle Larga S. Marta, Dorsoduro 2137, 30123 Venice, Italy
Klebsiella oxytoca BAS-10 is a Gram-negative micro-organism capable of growing on high concentrations of heavy metals. This bacterium produces large amounts of an iron-binding exopolysaccharide that, in the presence of metallic cations, precipitates as a dense gel. The primary and secondary structure of the repeating unit of such polysaccharide has been characterised by chemical and spectroscopic methods, resulting in the following heptasaccharide: →2)-α-Rha-(1→3)β-Gal-(1→2)-α-Rha-(1→4)-β-GlcA-[β-GlcA-(1→4)]-(1→3)-α-Rha-(l→3)-α-Rha-(l→. The absolute configurations for the Rha units are L, while those for the GlcA and Gal residues are D
NMR spectroscopy, exopolysaccharide, Klebsiella oxytoca, iron complexation
Structure type: polymer chemical repeating unit
Location inside paper: p.5185, fig.4
Trivial name: Fe-EPS
Compound class: EPS, CPS
Contained glycoepitopes: IEDB_115136,IEDB_133754,IEDB_136044,IEDB_136105,IEDB_137472,IEDB_140630,IEDB_141794,IEDB_190606,IEDB_225177,IEDB_423153,IEDB_885823,SB_165,SB_166,SB_187,SB_195,SB_7,SB_88
Methods: 13C NMR, 1H NMR, NMR-2D, methylation, GLC-MS, GLC, MD simulations, composition analysis, NMR-1D, molecular mechanics, FAAS
3D data: molecular dynamic simulation data
NCBI Taxonomy refs (TaxIDs): 571Reference(s) to other database(s): GTC:G68665KQ, GlycomeDB:
34674
Show glycosyltransferases
NMR conditions: in D2O at 293 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,3,4,2,3 aLRhap 100.3 78.0 69.7 71.9 69.1 16.5
3,3,4,2 bDGalp 104.0 71.1 78.8 68.6 75.7 61.1
3,3,4 aLRhap 99.5 79.0 69.8 71.9 68.6 16.2
3,3 bDGlcpA 103.3 73.6 74.4 78.9 75.9 ?
3,4 bDGlcpA 102.4 73.4 75.7 72.0 76.5 ?
3 aLRhap 101.9 69.6 80.6 78.2 67.5 16.9
aLRhap 101.9 69.7 78.1 71.1 69.2 16.4
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,3,4,2,3 aLRhap 5.188 4.022 3.886 3.458 3.738 1.244
3,3,4,2 bDGalp 4.504 3.620 3.667 3.928 3.664 3.605-3.824
3,3,4 aLRhap 4.969 4.013 3.805 3.455 4.026 1.20
3,3 bDGlcpA 4.657 3.371 3.504 3.511 3.699 -
3,4 bDGlcpA 4.779 3.219 3.437 3.444 3.649 -
3 aLRhap 4.969 4.264 4.089 3.734 3.880 1.31
aLRhap 4.89 4.107 3.765 3.483 3.698 1.216
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,3,4,2,3 aLRhap 100.3/5.188 78.0/4.022 69.7/3.886 71.9/3.458 69.1/3.738 16.5/1.244
3,3,4,2 bDGalp 104.0/4.504 71.1/3.620 78.8/3.667 68.6/3.928 75.7/3.664 61.1/3.605-3.824
3,3,4 aLRhap 99.5/4.969 79.0/4.013 69.8/3.805 71.9/3.455 68.6/4.026 16.2/1.20
3,3 bDGlcpA 103.3/4.657 73.6/3.371 74.4/3.504 78.9/3.511 75.9/3.699
3,4 bDGlcpA 102.4/4.779 73.4/3.219 75.7/3.437 72.0/3.444 76.5/3.649
3 aLRhap 101.9/4.969 69.6/4.264 80.6/4.089 78.2/3.734 67.5/3.880 16.9/1.31
aLRhap 101.9/4.89 69.7/4.107 78.1/3.765 71.1/3.483 69.2/3.698 16.4/1.216
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,3,4,2,3 | aLRhap | 5.188 | 4.022 | 3.886 | 3.458 | 3.738 | 1.244 |
| 3,3,4,2 | bDGalp | 4.504 | 3.620 | 3.667 | 3.928 | 3.664 | 3.605
3.824 |
| 3,3,4 | aLRhap | 4.969 | 4.013 | 3.805 | 3.455 | 4.026 | 1.20 |
| 3,3 | bDGlcpA | 4.657 | 3.371 | 3.504 | 3.511 | 3.699 |
|
| 3,4 | bDGlcpA | 4.779 | 3.219 | 3.437 | 3.444 | 3.649 |
|
| 3 | aLRhap | 4.969 | 4.264 | 4.089 | 3.734 | 3.880 | 1.31 |
| | aLRhap | 4.89 | 4.107 | 3.765 | 3.483 | 3.698 | 1.216 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,3,4,2,3 | aLRhap | 100.3 | 78.0 | 69.7 | 71.9 | 69.1 | 16.5 |
| 3,3,4,2 | bDGalp | 104.0 | 71.1 | 78.8 | 68.6 | 75.7 | 61.1 |
| 3,3,4 | aLRhap | 99.5 | 79.0 | 69.8 | 71.9 | 68.6 | 16.2 |
| 3,3 | bDGlcpA | 103.3 | 73.6 | 74.4 | 78.9 | 75.9 | ? |
| 3,4 | bDGlcpA | 102.4 | 73.4 | 75.7 | 72.0 | 76.5 | ? |
| 3 | aLRhap | 101.9 | 69.6 | 80.6 | 78.2 | 67.5 | 16.9 |
| | aLRhap | 101.9 | 69.7 | 78.1 | 71.1 | 69.2 | 16.4 |
|
The spectrum also has 2 signals at unknown positions (not plotted). |
There is only one chemically distinct structure:
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