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Glycosciences.DB structure entry #668: LewisA trisaccharide (beta-anomeric form)
a-L-Fucp-(1-4)+
|
b-D-GlcpNAc
|
b-D-Galp-(1-3)+
[][B-D-GLCPNAC]{[(3+1)][B-D-GALP]{}[(4+1)][A-L-FUCP]{}}
RES
1b:b-dglc-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:a-lgal-HEX-1:5|6:d
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:1o(4+1)4d
<?xml version="1.0" encoding="UTF-8"?>
<sugar version="1.0">
<residues>
<basetype id="1" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
<stemtype id="1" type="dglc" />
</basetype>
<substituent id="2" name="n-acetyl" />
<basetype id="3" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dgal-HEX-1:5">
<stemtype id="1" type="dgal" />
</basetype>
<basetype id="4" anomer="a" superclass="hex" ringStart="1" ringEnd="5" name="a-lgal-HEX-1:5|6:d">
<stemtype id="1" type="lgal" />
<modification type="d" pos_one="6" />
</basetype>
</residues>
<linkages>
<connection id="1" parent="1" child="2">
<linkage id="1" parentType="d" childType="n">
<parent pos="2" />
<child pos="1" />
</linkage>
</connection>
<connection id="2" parent="1" child="3">
<linkage id="2" parentType="o" childType="d">
<parent pos="3" />
<child pos="1" />
</linkage>
</connection>
<connection id="3" parent="1" child="4">
<linkage id="3" parentType="o" childType="d">
<parent pos="4" />
<child pos="1" />
</linkage>
</connection>
</linkages>
</sugar>
3D Structure Model1 - 5 of 13 entries with matching glycan part
Structure entry #370:
a-L-Fucp-(1-4)+
|
b-D-GlcpNAc-(1-9)-9-hydroxy-Nonanoate-(1-1)-Methyl
|
b-D-Galp-(1-3)+
 |
 13C: 1 |
 |
 : 3 |
 |
Taxons: 1 |
Structure entry #604:
a-L-Fucp-(1-4)+
|
b-D-GlcpNAc-(1-4)-Asn
|
b-D-Galp-(1-3)+
 |
 |
|
: 2 |
|
Taxons: 1 |
Structure entry #1245:
a-L-Fucp-(1-4)+
|
b-D-GlcpNAc-(1-O)-<alkyl>
|
b-D-Galp-(1-3)+
|
|
|
: 1 |
|
Taxons: 1 |
Structure entry #3990: LewisA trisaccharide (beta-anomeric form) linked to Bovine Serum Antigen (BSA)
a-L-Fucp-(1-4)+
|
b-D-GlcpNAc-(1-O)-<BSA>
|
b-D-Galp-(1-3)+
|
|
|
: 1 |
|
Taxons |
Structure entry #4555:
a-L-Fucp-(1-4)+
|
b-D-GlcpNAc-(1-7)-benzyl
|
b-D-Galp-(1-3)+
|
|
|
: 1 |
|
Taxons |
- Lewis A (Show) (Search Database)
| Chemical Formula: | C20H35N1O15 | #C | #H | #O | #N | |
| Molec. Weight: | 529 | 20 | 35 | 15 | 1 | |
| # Atoms: | 71 | |||||
| # Residues: | 3 | |||||
| # Heavy Atoms: | 36 | |||||
Superclasses:
|
Residues:
|
||||||||||||||||
NMR Proton Chemical Shift Info| MHz | 0 | ||||||
| Temperature | 70 | ||||||
| Solvent | D2O | ||||||
| Residue | Linkage | Proton | PPM | JFrom | JTo | Hz | Note |
| B-D-GLCPNAC | H1 | 4.770 | note | ||||
| B-D-GLCPNAC | H2 | 3.860 | note | ||||
| B-D-GLCPNAC | H3 | 4.090 | note | ||||
| B-D-GLCPNAC | H4 | 3.760 | note | ||||
| B-D-GLCPNAC | H5 | 3.570 | note | ||||
| B-D-GLCPNAC | H6 a | 3.870 | note | ||||
| B-D-GLCPNAC | H6 b | 3.970 | note | ||||
| B-D-GLCPNAC | NAc | 2.050 | note | ||||
| B-D-GALP | 3 | H1 | 4.520 | note | |||
| B-D-GALP | 3 | H2 | 3.500 | note | |||
| B-D-GALP | 3 | H3 | 3.620 | note | |||
| B-D-GALP | 3 | H4 | 3.920 | note | |||
| B-D-GALP | 3 | H5 | 3.580 | note | |||
| B-D-GALP | 3 | H6 a | 3.780 | note | |||
| B-D-GALP | 3 | H6 b | 3.780 | note | |||
| A-L-FUCP | 4 | H1 | 5.030 | note | |||
| A-L-FUCP | 4 | H2 | 3.820 | note | |||
| A-L-FUCP | 4 | H3 | 3.890 | note | |||
| A-L-FUCP | 4 | H4 | 3.800 | note | |||
| A-L-FUCP | 4 | H5 | 4.780 | note | |||
| A-L-FUCP | 4 | H6 | 1.210 | note | |||
NMR Carbon Chemical Shift Info| MHz | 0 | ||||||
| Temperature | 70 | ||||||
| Solvent | D2O | ||||||
| Residue | Linkage | Carbon | PPM | JFrom | JTo | Hz | Note |
| B-D-GLCPNAC | C1 | 95.64 | note | ||||
| B-D-GLCPNAC | C2 | 57.92 | note | ||||
| B-D-GLCPNAC | C3 | 77.19 | note | ||||
| B-D-GLCPNAC | C4 | 73.50 | note | ||||
| B-D-GLCPNAC | C5 | 76.49 | note | ||||
| B-D-GLCPNAC | C6 | 61.12 | note | ||||
| B-D-GLCPNAC | CH3 | 23.19 | note | ||||
| B-D-GLCPNAC | CO | 175.54 | note | ||||
| B-D-GALP | 3 | C1 | 103.46 | note | |||
| B-D-GALP | 3 | C2 | 71.56 | note | |||
| B-D-GALP | 3 | C3 | 73.46 | note | |||
| B-D-GALP | 3 | C4 | 69.25 | note | |||
| B-D-GALP | 3 | C5 | 75.66 | note | |||
| B-D-GALP | 3 | C6 | 61.78 | note | |||
| A-L-FUCP | 4 | C1 | 98.81 | note | |||
| A-L-FUCP | 4 | C2 | 68.83 | note | |||
| A-L-FUCP | 4 | C3 | 70.14 | note | |||
| A-L-FUCP | 4 | C4 | 72.85 | note | |||
| A-L-FUCP | 4 | C5 | 67.59 | note | |||
| A-L-FUCP | 4 | C6 | 16.22 | note | |||
PDB references: 91 - 5 of 9 PDB entries
PDB ID 6or4:
Crystal structure of SpGH29
Description: Glycoside hydrolase
Source: Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1Å
Release date: 2019-07-10
Entry features 1 distinct glycan structures [2 instances].
PDB ID 5zvc:
P domain of GII.13 norovirus capsid complexed with Lewis A trisaccharide
Description: Major capsid protein VP1
Source: Norovirus Hu/GII.13/10N4598/2010/NP
Experimental method: X-RAY DIFFRACTION
Resolution: 1.8Å
Release date: 2018-10-03
Entry features 1 distinct glycan structures [2 instances].
PDB ID 5a6z:
Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with lewis a
Description: LECB
Source: PSEUDOMONAS AERUGINOSA
Experimental method: X-RAY DIFFRACTION
Resolution: 1.5Å
Release date: 2016-05-25
Entry features 3 distinct glycan structures [3 instances].
PDB ID 4ut5:
Crystal structure of the LecB lectin from Pseudomonas aeruginosa strain PA7 in complex with lewis a tetrasaccharide
Description: LECB LECTIN
Source: PSEUDOMONAS AERUGINOSA
Experimental method: X-RAY DIFFRACTION
Resolution: 1.75Å
Release date: 2015-07-22
Entry features 3 distinct glycan structures [4 instances].
PDB ID 4rm0:
Crystal structure of Norovirus OIF P domain in complex with Lewis a trisaccharide
Description: Capsid protein
Source: Norovirus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.999Å
Release date: 2015-06-24
Entry features 2 distinct glycan structures [2 instances].
Conformational maps: 4
Map ID: 8441
Disaccharide Fragment: a-L-Fucp-(1-4)-b-D-GlcpNAc
Linkage Path: 4
Method: MD MM3(1996) Tinker 4 HTMD, 1000K, 30ns
Map ID: 8442
Disaccharide Fragment: b-D-Galp-(1-3)-b-D-GlcpNAc
Linkage Path: 3
Method: MD MM3(1996) Tinker 4 HTMD, 1000K, 30ns
Map ID: 9093
Disaccharide Fragment: a-L-Fucp-(1-4)-b-D-GlcpNAc
Linkage Path: 4
Method: MD MM3(1996) Tinker 4 HTMD, 1000K, 30ns
Map ID: 9094
Disaccharide Fragment: b-D-Galp-(1-3)-b-D-GlcpNAc
Linkage Path: 3
Method: MD MM3(1996) Tinker 4 HTMD, 1000K, 30ns
Literature references: 611 - 5 of 61 literature references
Reference #20916
Taylor ME; Snelling T; Smith DF; Drickamer K
Absence of a human ortholog of rodent Kupffer cell galactose-binding receptor encoded by the CLEC4f gene.
Published 2019 in Glycobiology, 29: 332-345
Reference contains 25 structures
Reference #21173
Buettner MJ; Shah SR; Saeui CT; Ariss R; Yarema KJ
Improving Immunotherapy Through Glycodesign.
Published 2018 in Front Immunol, 9: 2485
Reference contains 42 structures
Reference #21136
Alibay I; Burusco KK; Bruce NJ; Bryce RA
Identification of Rare Lewis Oligosaccharide Conformers in Aqueous Solution Using Enhanced Sampling Molecular Dynamics.
Published 2018 in J Phys Chem B, 122: 2462-2474
Reference contains 6 structures
Reference #21117
Aeschbacher T; Zierke M; Smieško M; Collot M; Mallet JM; Ernst B; Allain FH; Schubert M
A Secondary Structural Element in a Wide Range of Fucosylated Glycoepitopes.
Published 2017 in Chemistry, 23: 11598-11610
Reference contains 23 structures
Reference #20805
Schneider M; Al-Shareffi E; Haltiwanger RS
Biological functions of fucose in mammals.
Published 2017 in Glycobiology, 27: 601-618
Reference contains 19 structures
1 - 5 of 6 literature references from PDB entries
Reference #19580
Boukerb AM; Decor A; Ribun S; Tabaroni R; Rousset A; Commin L; Buff S; Doléans-Jordheim A; Vidal S; Varrot A; Imberty A; Cournoyer B
Genomic Rearrangements and Functional Diversification of lecA and lecB Lectin-Coding Regions Impacting the Efficacy of Glycomimetics Directed against Pseudomonas aeruginosa.
Published 2016 in Front Microbiol, 7: 811
Reference #19249
Liu W; Chen Y; Jiang X; Xia M; Yang Y; Tan M; Li X; Rao Z
A Unique Human Norovirus Lineage with a Distinct HBGA Binding Interface.
Published 2015 in PLoS Pathog., 11: e1005025
Reference #18827
Shanker S; Czako R; Sankaran B; Atmar RL; Estes MK; Prasad BV
Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
Published 2014 in J. Virol., 88: 6168-80
Reference #18241
Kubota T; Kumagai A; Ito H; Furukawa S; Someya Y; Takeda N; Ishii K; Wakita T; Narimatsu H; Shirato H
Structural basis for the recognition of Lewis antigens by genogroup I norovirus.
Published 2012 in J. Virol., 86: 11138-50
Reference #18135
Sakurama H; Fushinobu S; Hidaka M; Yoshida E; Honda Y; Ashida H; Kitaoka M; Kumagai H; Yamamoto K; Katayama T
1,3-1,4-α-L-fucosynthase that specifically introduces Lewis a/x antigens into type-1/2 chains.
Published 2012 in J. Biol. Chem., 287: 16709-19
| NCBI Taxonomy ID | Scientific Name |
| 9534 | Cercopithecus aethiops |
| 9606 | Homo sapiens |
| 10090 | Mus musculus |
| 8638 | Naja |
| 9986 | Oryctolagus cuniculus |
Consortium for Functional Glycomics (CFG):
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