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Kondakova AN, Linder B, Fudala R, Senchenkova SN, Moll H, Shashkov AS, Kaca W, Zähringer U, Knirel YA
New stuctures of the O-specific polysaccharides of Proteus. Part 4. Polysaccharides containing unusual acidic N-acyl derivatives of 4-amino-4,6-dideoxy-D-glucose
Biochemistry (Moscow) 69(9) (2004)
1034-1043
|
Mal-(1-4)-b-D-Quip4N-(1-6)-+
|
-3)-b-D-GlcpNAc-(1-2)-b-D-Galp-(1-4)-b-D-Glcp-(1- |
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Proteus mirabilis O7
(Ancestor NCBI TaxID 584,
species name lookup)
Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Proteus mirabilis [ICD11:
XN9ZF 
]
The structure was elucidated in this paperNCBI PubMed ID: 15521818Journal NLM ID: 0376536Publisher: Nauka/Interperiodica
Correspondence: knirel
ioc.ac.ru
Institutions: Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russia, Research Center Borstel, Leibniz Center for Medicine and Biosciences, Borstel, Germany, Institute of Microbiology and Immunology, University of Lodz, Lodz, Poland, Swietokrzyska Academy, Kielce, Poland
The structures of the O-polysaccharides of the lipopolysaccharides of Proteus mirabilis O7 and O49 were determined by chemical methods, mass spectrometry, including MS/MS, and NMR spectroscopy, including experiments run in an H2O/D2O mixture to reveal correlations for NH protons. The O-polysaccharides were found to contain N-carboxyacetyl (malonyl) and N-(3-carboxypropanoyl) (succinyl) derivatives of 4-amino-4,6-dideoxyglucose (4-amino-4-deoxyquinovose, Qui4N), respectively. The behavior of Qui4N derivatives with the dicarboxylic acids under conditions of acid hydrolysis and methanolysis was studied using GLC-MS.
O-polysaccharide, Proteus mirabilis, 6-dideoxy-d-glucose, 4-amino-4, malonic acid, succinic acid, aspartic acid, MS/MS
Structure type: polymer chemical repeating unit
Location inside paper: p.1038
Compound class: O-polysaccharide
Contained glycoepitopes: IEDB_135813,IEDB_136044,IEDB_137340,IEDB_137472,IEDB_141794,IEDB_141807,IEDB_142487,IEDB_142488,IEDB_146664,IEDB_151531,IEDB_190606,IEDB_983931,SB_165,SB_166,SB_187,SB_192,SB_195,SB_6,SB_7,SB_88
Methods: NMR-2D, methylation, NMR, ESI-MS, IRMPD-MS/MS
Comments, role: NMR temperature is 303 or 313
Related record ID(s): 9327, 9328, 9428
NCBI Taxonomy refs (TaxIDs): 584
Show glycosyltransferases
NMR conditions: in D2O at 308 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
4,2,2 Ac 175.7 23.5
4,2 bDGlcpN 102.1 56.2 83.9 69.9 76.5 62.3
4,6,4 xXMal 171.9 45.8 174.6
4,6 bDQuip4N 103.6 74.8 74.6 58.0 72.1 17.9
4 bDGalp 102.6 78.5 74.8 70.0 74.9 70.0
bDGlcp 103.9 73.8 75.9 80.6 75.3 61.4
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
4,2,2 Ac - 2.04
4,2 bDGlcpN 4.88 3.87 3.80 3.53 3.45 3.75-3.92
4,6,4 xXMal - 3.26 -
4,6 bDQuip4N 4.53 3.36 3.55 3.62 3.61 1.22
4 bDGalp 4.50 3.93 3.91 3.87 3.89 3.87-4.02
bDGlcp 4.52 3.35 3.62 3.65 3.66 3.91-4.08
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
4,2,2 Ac 23.5/2.04
4,2 bDGlcpN 102.1/4.88 56.2/3.87 83.9/3.80 69.9/3.53 76.5/3.45 62.3/3.75-3.92
4,6,4 xXMal 45.8/3.26
4,6 bDQuip4N 103.6/4.53 74.8/3.36 74.6/3.55 58.0/3.62 72.1/3.61 17.9/1.22
4 bDGalp 102.6/4.50 78.5/3.93 74.8/3.91 70.0/3.87 74.9/3.89 70.0/3.87-4.02
bDGlcp 103.9/4.52 73.8/3.35 75.9/3.62 80.6/3.65 75.3/3.66 61.4/3.91-4.08
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 4,2,2 | Ac |
| 2.04 | |
| 4,2 | bDGlcpN | 4.88 | 3.87 | 3.80 | 3.53 | 3.45 | 3.75
3.92 |
| 4,6,4 | xXMal |
| 3.26 |
| |
| 4,6 | bDQuip4N | 4.53 | 3.36 | 3.55 | 3.62 | 3.61 | 1.22 |
| 4 | bDGalp | 4.50 | 3.93 | 3.91 | 3.87 | 3.89 | 3.87
4.02 |
| | bDGlcp | 4.52 | 3.35 | 3.62 | 3.65 | 3.66 | 3.91
4.08 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 4,2,2 | Ac | 175.7 | 23.5 | |
| 4,2 | bDGlcpN | 102.1 | 56.2 | 83.9 | 69.9 | 76.5 | 62.3 |
| 4,6,4 | xXMal | 171.9 | 45.8 | 174.6 | |
| 4,6 | bDQuip4N | 103.6 | 74.8 | 74.6 | 58.0 | 72.1 | 17.9 |
| 4 | bDGalp | 102.6 | 78.5 | 74.8 | 70.0 | 74.9 | 70.0 |
| | bDGlcp | 103.9 | 73.8 | 75.9 | 80.6 | 75.3 | 61.4 |
|
There is only one chemically distinct structure:
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Kondakova AN, Linder B, Fudala R, Senchenkova SN, Moll H, Shashkov AS, Kaca W, Zähringer U, Knirel YA
New stuctures of the O-specific polysaccharides of Proteus. Part 4. Polysaccharides containing unusual acidic N-acyl derivatives of 4-amino-4,6-dideoxy-D-glucose
Biochemistry (Moscow) 69(9) (2004)
1034-1043
|
Suc-(1-4)-a-D-Quip4N-(1-4)-+
|
-3)-b-D-GlcpNAc-(1-2)-a-D-GalpA-(1-3)-a-L-Rhap-(1-4)-a-D-Glcp-(1-2)-a-L-Rhap-(1- |
Show graphically |
Proteus mirabilis O49
(Ancestor NCBI TaxID 584,
species name lookup)
Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Proteus mirabilis [ICD11:
XN9ZF ]
The structure was elucidated in this paperNCBI PubMed ID: 15521818Journal NLM ID: 0376536Publisher: Nauka/Interperiodica
Correspondence: knirel
ioc.ac.ru
Institutions: Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russia, Research Center Borstel, Leibniz Center for Medicine and Biosciences, Borstel, Germany, Institute of Microbiology and Immunology, University of Lodz, Lodz, Poland, Swietokrzyska Academy, Kielce, Poland
The structures of the O-polysaccharides of the lipopolysaccharides of Proteus mirabilis O7 and O49 were determined by chemical methods, mass spectrometry, including MS/MS, and NMR spectroscopy, including experiments run in an H2O/D2O mixture to reveal correlations for NH protons. The O-polysaccharides were found to contain N-carboxyacetyl (malonyl) and N-(3-carboxypropanoyl) (succinyl) derivatives of 4-amino-4,6-dideoxyglucose (4-amino-4-deoxyquinovose, Qui4N), respectively. The behavior of Qui4N derivatives with the dicarboxylic acids under conditions of acid hydrolysis and methanolysis was studied using GLC-MS.
O-polysaccharide, Proteus mirabilis, 6-dideoxy-d-glucose, 4-amino-4, malonic acid, succinic acid, aspartic acid, MS/MS
Structure type: polymer chemical repeating unit
Location inside paper: p.1041
Compound class: O-polysaccharide
Contained glycoepitopes: IEDB_135813,IEDB_136105,IEDB_137340,IEDB_141807,IEDB_142488,IEDB_144998,IEDB_146664,IEDB_151531,IEDB_225177,IEDB_885823,IEDB_983931,SB_192
Methods: NMR-2D, methylation, NMR, ESI-MS, IRMPD-MS/MS
Comments, role: NMR temperature is 303 or 313
Related record ID(s): 9219, 9328
NCBI Taxonomy refs (TaxIDs): 584Reference(s) to other database(s): GTC:G26762CJ
Show glycosyltransferases
NMR conditions: in D2O at 308 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
2,4,3,2,2 Ac 175.0 23.7
2,4,3,2 bDGlcpN 103.8 57.1 82.5 69.9 77.6 62.4
2,4,3,4,4 xXSuc 175.9 32.0 30.7 176.4
2,4,3,4 aDQuip4N 100.7 71.6 71.7 58.0 68.6 17.7
2,4,3 aDGalpA 97.2 79.3 68.8 80.3 71.6 174.5
2,4 aLRhap 101.5 68.8 78.0 73.1 70.4 17.9
2 aDGlcp 98.8 73.0 72.9 78.1 72.3 61.3
aLRhap 99.7 78.0 70.9 73.7 70.5 17.9
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
2,4,3,2,2 Ac - 2.06
2,4,3,2 bDGlcpN 4.73 3.83 3.69 3.50 3.49 3.75-3.98
2,4,3,4,4 xXSuc - 2.59 2.67 -
2,4,3,4 aDQuip4N 4.99 3.55 3.73 3.57 4.24 1.13
2,4,3 aDGalpA 5.38 3.94 4.15 4.39 4.64 -
2,4 aLRhap 4.93 4.23 3.83 3.52 4.07 1.26
2 aDGlcp 4.85 3.57 3.83 3.61 4.05 3.75-3.83
aLRhap 5.00 3.83 3.88 3.55 3.98 1.26
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
2,4,3,2,2 Ac 23.7/2.06
2,4,3,2 bDGlcpN 103.8/4.73 57.1/3.83 82.5/3.69 69.9/3.50 77.6/3.49 62.4/3.75-3.98
2,4,3,4,4 xXSuc 32.0/2.59 30.7/2.67
2,4,3,4 aDQuip4N 100.7/4.99 71.6/3.55 71.7/3.73 58.0/3.57 68.6/4.24 17.7/1.13
2,4,3 aDGalpA 97.2/5.38 79.3/3.94 68.8/4.15 80.3/4.39 71.6/4.64
2,4 aLRhap 101.5/4.93 68.8/4.23 78.0/3.83 73.1/3.52 70.4/4.07 17.9/1.26
2 aDGlcp 98.8/4.85 73.0/3.57 72.9/3.83 78.1/3.61 72.3/4.05 61.3/3.75-3.83
aLRhap 99.7/5.00 78.0/3.83 70.9/3.88 73.7/3.55 70.5/3.98 17.9/1.26
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 2,4,3,2,2 | Ac |
| 2.06 | |
| 2,4,3,2 | bDGlcpN | 4.73 | 3.83 | 3.69 | 3.50 | 3.49 | 3.75
3.98 |
| 2,4,3,4,4 | xXSuc |
| 2.59 | 2.67 |
| |
| 2,4,3,4 | aDQuip4N | 4.99 | 3.55 | 3.73 | 3.57 | 4.24 | 1.13 |
| 2,4,3 | aDGalpA | 5.38 | 3.94 | 4.15 | 4.39 | 4.64 |
|
| 2,4 | aLRhap | 4.93 | 4.23 | 3.83 | 3.52 | 4.07 | 1.26 |
| 2 | aDGlcp | 4.85 | 3.57 | 3.83 | 3.61 | 4.05 | 3.75
3.83 |
| | aLRhap | 5.00 | 3.83 | 3.88 | 3.55 | 3.98 | 1.26 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 2,4,3,2,2 | Ac | 175.0 | 23.7 | |
| 2,4,3,2 | bDGlcpN | 103.8 | 57.1 | 82.5 | 69.9 | 77.6 | 62.4 |
| 2,4,3,4,4 | xXSuc | 175.9 | 32.0 | 30.7 | 176.4 | |
| 2,4,3,4 | aDQuip4N | 100.7 | 71.6 | 71.7 | 58.0 | 68.6 | 17.7 |
| 2,4,3 | aDGalpA | 97.2 | 79.3 | 68.8 | 80.3 | 71.6 | 174.5 |
| 2,4 | aLRhap | 101.5 | 68.8 | 78.0 | 73.1 | 70.4 | 17.9 |
| 2 | aDGlcp | 98.8 | 73.0 | 72.9 | 78.1 | 72.3 | 61.3 |
| | aLRhap | 99.7 | 78.0 | 70.9 | 73.7 | 70.5 | 17.9 |
|
There is only one chemically distinct structure:
Expand this record
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Kondakova AN, Linder B, Fudala R, Senchenkova SN, Moll H, Shashkov AS, Kaca W, Zähringer U, Knirel YA
New stuctures of the O-specific polysaccharides of Proteus. Part 4. Polysaccharides containing unusual acidic N-acyl derivatives of 4-amino-4,6-dideoxy-D-glucose
Biochemistry (Moscow) 69(9) (2004)
1034-1043
|
EtNAc-(1--P--6)--+ D-Asp2Ac-(4-4)-+
| |
-3)-a-D-GlcpNAc-(1-3)-b-D-Quip4N-(1-6)-a-D-Glcp-(1-4)-a-D-GalpA-(1- |
Show graphically |
Proteus mirabilis O38
(Ancestor NCBI TaxID 584,
species name lookup)
Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Proteus mirabilis [ICD11:
XN9ZF ]
The structure was elucidated in this paperNCBI PubMed ID: 15521818Journal NLM ID: 0376536Publisher: Nauka/Interperiodica
Correspondence: knirel
ioc.ac.ru
Institutions: Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russia, Research Center Borstel, Leibniz Center for Medicine and Biosciences, Borstel, Germany, Institute of Microbiology and Immunology, University of Lodz, Lodz, Poland, Swietokrzyska Academy, Kielce, Poland
The structures of the O-polysaccharides of the lipopolysaccharides of Proteus mirabilis O7 and O49 were determined by chemical methods, mass spectrometry, including MS/MS, and NMR spectroscopy, including experiments run in an H2O/D2O mixture to reveal correlations for NH protons. The O-polysaccharides were found to contain N-carboxyacetyl (malonyl) and N-(3-carboxypropanoyl) (succinyl) derivatives of 4-amino-4,6-dideoxyglucose (4-amino-4-deoxyquinovose, Qui4N), respectively. The behavior of Qui4N derivatives with the dicarboxylic acids under conditions of acid hydrolysis and methanolysis was studied using GLC-MS.
O-polysaccharide, Proteus mirabilis, 6-dideoxy-d-glucose, 4-amino-4, malonic acid, succinic acid, aspartic acid, MS/MS
Structure type: polymer chemical repeating unit
Location inside paper: p.1041
Compound class: O-polysaccharide
Contained glycoepitopes: IEDB_120354,IEDB_123890,IEDB_141807,IEDB_142488,IEDB_144998,IEDB_146664,IEDB_151531,IEDB_983931,SB_192
Methods: NMR-2D, methylation, NMR, ESI-MS, IRMPD-MS/MS
Related record ID(s): 9219, 9220, 9327
NCBI Taxonomy refs (TaxIDs): 584
Show glycosyltransferases
There is only one chemically distinct structure:
Expand this record
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