Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Escherichia coli [ICD11:
XN6P4 
]
The structure was elucidated in this paperNCBI PubMed ID: 35569241Publication DOI: 10.1016/j.carres.2022.108577Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: Renpeng Li <rpleesd
163.com>; Jing Hu <hujing
jiangnan.edu.cn>
Institutions: Key Laboratory of Carbohydrate Chemistry and Biotechnology, Ministry of Education, School of Biotechnology, Jiangnan University, Lihu Ave. 1800, Wuxi, 214122, China, Shandong Center for Disease Control and Prevention, 16992 City Ten Road, Jinan, 250014, Shandong, PR China, Center for Disease Control and Prevention of LanLing City, 1 City Huibao Road, Lanling, 276000, Lanling, Shandong, PR China, TEDA Institute of Biological Sciences and Biotechnology, Nankai University, 23, Hongda Street, TEDA, Tianjin, China, Wuxi School of Medicine, Jiangnan University, Lihu Ave. 1800, Wuxi, 214122, China
The O-antigen is an important virulence factor involved in the survival, virulence and invasion of bacteria. The bacterial serological types are highly dependent on these surface-exposed and structurally unique O-antigen structures. In this work, the structure of O-antigen from an Escherichia coli strain 2017LL031 was elucidated as a hexasaccharide repeating unit: →3)-[β-D-Glcp-(1→2)]-α-L-Rhap-(1→3)-[α-D-Quip-(1→3)-α-D-GlcpA-(1→2)]-β-L-Fucp-(1→3)-β-D-GlcpNAc-(1→, which is completely different from all known E. coli serogroups. The O-antigen gene cluster (O-AGC) of 2017LL031 was also analyzed and correlates well to its O-Ag. Moreover, the O-AGC of 2017LL031 was deleted and its role in O-Ag biosynthesis was confirmed experimentally. Taken together, our results present that a novel E.coli serotype 2017LL031 is identified.
structure, serotype, O-antigen, Escherichia coli, O-antigen gene cluster
Structure type: polymer chemical repeating unit
Location inside paper: table 1, Fig. 5
Compound class: O-polysaccharide, O-antigen
Contained glycoepitopes: IEDB_115136,IEDB_135813,IEDB_136105,IEDB_137340,IEDB_140630,IEDB_141807,IEDB_142488,IEDB_142489,IEDB_144562,IEDB_146664,IEDB_151531,IEDB_152214,IEDB_225177,IEDB_423097,IEDB_885823,IEDB_983931,SB_192,SB_86
Methods: 13C NMR, 1H NMR, NMR-2D, PCR, SDS-PAGE, sugar analysis, HPSEC, HPAEC-PAD, genome sequencing, annotation
Comments, role: Escherichia coli strain 2017LL031 is suggested to be designated as O190 serotype; published NMR chemical shifts of of C3 #3,3_aLRhap (70.3) and C1-C6 #3,3,2_bDGlcp 104.6 72.2 70.2 80.4 76.1 60.2 seemed erroneous.
NCBI Taxonomy refs (TaxIDs): 562
Show glycosyltransferases
NMR conditions: in D2O at 300 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,3,2 bDGlcp
3,3 aLRhap 101.4 80.4 ? 72.4 68.6 16.4
3,2,3 aDQuip 100.2 68.2 74.0 72.5 68.7 16.6
3,2 aDGlcpA 96.2 70.3 74.4 70.8 76.1 174.9
3 bLFucp 99.7 69.0 80.8 66.8 67.1 15.5
2 Ac 174.6 22.1
bDGlcpN 100.5 55.6 80.6 76.1 80.5 60.9
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,3,2 bDGlcp 4.61 3.48 3.98 3.71 3.42 3.72-3.90
3,3 aLRhap 5.09 4.13 3.87 3.48 4.14 1.25
3,2,3 aDQuip 4.94 3.69 3.65 3.48 4.29 1.30
3,2 aDGlcpA 4.93 3.97 3.77 3.94 3.75 -
3 bLFucp 4.58 3.45 3.80 4.16 4.31 1.10
2 Ac - 2.01
bDGlcpN 4.46 3.84 3.61 3.44 3.75 3.77-3.93
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,3,2 bDGlcp NMR TSV error 2: unequal length of 13C and 1H datasets
3,3 aLRhap 101.4/5.09 80.4/4.13 ?/3.87 72.4/3.48 68.6/4.14 16.4/1.25
3,2,3 aDQuip 100.2/4.94 68.2/3.69 74.0/3.65 72.5/3.48 68.7/4.29 16.6/1.30
3,2 aDGlcpA 96.2/4.93 70.3/3.97 74.4/3.77 70.8/3.94 76.1/3.75
3 bLFucp 99.7/4.58 69.0/3.45 80.8/3.80 66.8/4.16 67.1/4.31 15.5/1.10
2 Ac 22.1/2.01
bDGlcpN 100.5/4.46 55.6/3.84 80.6/3.61 76.1/3.44 80.5/3.75 60.9/3.77-3.93
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,3,2 | bDGlcp | 4.61 | 3.48 | 3.98 | 3.71 | 3.42 | 3.72
3.90 |
| 3,3 | aLRhap | 5.09 | 4.13 | 3.87 | 3.48 | 4.14 | 1.25 |
| 3,2,3 | aDQuip | 4.94 | 3.69 | 3.65 | 3.48 | 4.29 | 1.30 |
| 3,2 | aDGlcpA | 4.93 | 3.97 | 3.77 | 3.94 | 3.75 |
|
| 3 | bLFucp | 4.58 | 3.45 | 3.80 | 4.16 | 4.31 | 1.10 |
| 2 | Ac |
| 2.01 | |
| | bDGlcpN | 4.46 | 3.84 | 3.61 | 3.44 | 3.75 | 3.77
3.93 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,3,2 | bDGlcp | |
| 3,3 | aLRhap | 101.4 | 80.4 | ? | 72.4 | 68.6 | 16.4 |
| 3,2,3 | aDQuip | 100.2 | 68.2 | 74.0 | 72.5 | 68.7 | 16.6 |
| 3,2 | aDGlcpA | 96.2 | 70.3 | 74.4 | 70.8 | 76.1 | 174.9 |
| 3 | bLFucp | 99.7 | 69.0 | 80.8 | 66.8 | 67.1 | 15.5 |
| 2 | Ac | 174.6 | 22.1 | |
| | bDGlcpN | 100.5 | 55.6 | 80.6 | 76.1 | 80.5 | 60.9 |
|
![](nmr_drawer.py?width=750&height=130&nucleus=C&rotate_labels=false&spectrum=[{"s":101.4,"l":"1","c":[230,0,30]},{"s":80.4,"l":"2","c":[230,0,30]},{"s":72.4,"l":"4","c":[230,0,30]},{"s":68.6,"l":"5","c":[230,0,30]},{"s":16.4,"l":"6","c":[230,0,30]},{"s":100.2,"l":"1","c":[0,165,0]},{"s":68.2,"l":"2","c":[0,165,0]},{"s":74,"l":"3","c":[0,165,0]},{"s":72.5,"l":"4","c":[0,165,0]},{"s":68.7,"l":"5","c":[0,165,0]},{"s":16.6,"l":"6","c":[0,165,0]},{"s":96.2,"l":"1","c":[120,0,225]},{"s":70.3,"l":"2","c":[120,0,225]},{"s":74.4,"l":"3","c":[120,0,225]},{"s":70.8,"l":"4","c":[120,0,225]},{"s":76.1,"l":"5","c":[120,0,225]},{"s":174.9,"l":"6","c":[120,0,225]},{"s":99.7,"l":"1","c":[0,192,255]},{"s":69,"l":"2","c":[0,192,255]},{"s":80.8,"l":"3","c":[0,192,255]},{"s":66.8,"l":"4","c":[0,192,255]},{"s":67.1,"l":"5","c":[0,192,255]},{"s":15.5,"l":"6","c":[0,192,255]},{"s":174.6,"l":"1","c":[0,0,0]},{"s":22.1,"l":"2","c":[0,0,0]},{"s":100.5,"l":"1","c":[220,0,180]},{"s":55.6,"l":"2","c":[220,0,180]},{"s":80.6,"l":"3","c":[220,0,180]},{"s":76.1,"l":"4","c":[220,0,180]},{"s":80.5,"l":"5","c":[220,0,180]},{"s":60.9,"l":"6","c":[220,0,180]}])
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.
Displayed record 1
