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Glycosciences.DB structure entry #2777: Blood group A trisaccharide
a-D-GalpNAc-(1-3)+
|
D-Gal
|
a-L-Fucp-(1-2)+
[][D-GAL]{[(2+1)][A-L-FUCP]{}[(3+1)][A-D-GALPNAC]{}}
RES
1b:x-dgal-HEX-x:x
2b:a-lgal-HEX-1:5|6:d
3b:a-dgal-HEX-1:5
4s:n-acetyl
LIN
1:1o(2+1)2d
2:1o(3+1)3d
3:3d(2+1)4n
<?xml version="1.0" encoding="UTF-8"?>
<sugar version="1.0">
<residues>
<basetype id="1" anomer="x" superclass="hex" ringStart="-1" ringEnd="-1" name="x-dgal-HEX-x:x">
<stemtype id="1" type="dgal" />
</basetype>
<basetype id="2" 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>
<basetype id="3" anomer="a" superclass="hex" ringStart="1" ringEnd="5" name="a-dgal-HEX-1:5">
<stemtype id="1" type="dgal" />
</basetype>
<substituent id="4" name="n-acetyl" />
</residues>
<linkages>
<connection id="1" parent="1" child="2">
<linkage id="1" parentType="o" childType="d">
<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="3" child="4">
<linkage id="3" parentType="d" childType="n">
<parent pos="2" />
<child pos="1" />
</linkage>
</connection>
</linkages>
</sugar>

Chemical Formula: | C20H35N1O15 | #C | #H | #O | #N | |
Molec. Weight: | 529 | 20 | 35 | 15 | 1 | |
# Atoms: | 71 | |||||
# Residues: | 3 | |||||
# Heavy Atoms: | 36 |
Superclasses:
|
Residues:
|
MHz | 400 | ||||||
Temperature | 300 | ||||||
Solvent | D2O | ||||||
Note | a)(f) = Linked to a-Galf (20) | ||||||
Residue | Linkage | Proton | PPM | JFrom | JTo | Hz | Note |
D-Gal | H1A | 5.369 | 0 | ||||
D-Gal | H1B | 4.707 | 0 | ||||
D-Gal | H2A | 3.972 | 0 | ||||
D-Gal | H2B | 3.754 | 0 | ||||
D-Gal | H3A | 4.134 | 0 | ||||
D-Gal | H3B | 3.940 | 0 | ||||
D-Gal | H4A | 4.244 | 0 | ||||
D-Gal | H4B | 4.206 | 0 | ||||
D-Gal | H5A | 4.405 | 0 | ||||
D-Gal | H5B | 4.256 | 0 | ||||
D-Gal | H6A | 3.768 | 0 | ||||
D-Gal | H6B | 3.754 | 0 | ||||
a-D-GalpNAc | 3 | H1(A) | 5.137 | 0 | |||
a-D-GalpNAc | 3 | H1(B) | 5.172 | 0 | |||
a-D-GalpNAc | 3 | H1(F) | 5.074 | 0 | a | ||
a-D-GalpNAc | 3 | H2(A) | 4.225 | 0 | |||
a-D-GalpNAc | 3 | H2(B) | 4.236 | 0 | |||
a-D-GalpNAc | 3 | H2(F) | 4.181 | 0 | |||
a-D-GalpNAc | 3 | H3(A) | 3.976 | 0 | |||
a-D-GalpNAc | 3 | H3(B) | 3.935 | 0 | |||
a-D-GalpNAc | 3 | H3(F) | 3.932 | 0 | |||
a-D-GalpNAc | 3 | H4(A) | 3.978 | 0 | |||
a-D-GalpNAc | 3 | H4(B) | 3.990 | 0 | |||
a-D-GalpNAc | 3 | H4(F) | 4.015 | 0 | |||
a-D-GalpNAc | 3 | H5(A) | 4.066 | 0 | |||
a-D-GalpNAc | 3 | H5(B) | 4.066 | 0 | |||
a-D-GalpNAc | 3 | H5(F) | 4.052 | 0 | |||
a-D-GalpNAc | 3 | H6(A) | 3.727 | 0 | |||
a-D-GalpNAc | 3 | H6(B) | 3.746 | 0 | |||
a-D-GalpNAc | 3 | H6(F) | 3.746 | 0 | |||
a-D-GalpNAc | 3 | NAC(A) | 2.044 | 0 | |||
a-D-GalpNAc | 3 | NAC(B) | 2.049 | 0 | |||
a-D-GalpNAc | 3 | NAC(F) | 2.044 | 0 | |||
a-L-Fucp | 2 | H1(A) | 5.120 | 0 | |||
a-L-Fucp | 2 | H1(B) | 5.279 | 0 | |||
a-L-Fucp | 2 | H1(F) | 5.092 | 0 | |||
a-L-Fucp | 2 | H2(A) | 3.796 | 0 | |||
a-L-Fucp | 2 | H2(B) | 3.777 | 0 | |||
a-L-Fucp | 2 | H2(F) | 3.763 | 0 | |||
a-L-Fucp | 2 | H3(A) | 3.912 | 0 | |||
a-L-Fucp | 2 | H3(B) | 3.842 | 0 | |||
a-L-Fucp | 2 | H3(F) | 3.828 | 0 | |||
a-L-Fucp | 2 | H4(A) | 3.811 | 0 | |||
a-L-Fucp | 2 | H4(B) | 3.802 | 0 | |||
a-L-Fucp | 2 | H4(F) | 3.811 | 0 | |||
a-L-Fucp | 2 | H5(A) | 4.155 | 0 | |||
a-L-Fucp | 2 | H5(B) | 4.432 | 0 | |||
a-L-Fucp | 2 | H5(F) | 4.070 | 0 | |||
a-L-Fucp | 2 | CH3(A) | 1.225 | 0 | |||
a-L-Fucp | 2 | CH3(B) | 1.205 | 0 | |||
a-L-Fucp | 2 | CH3(F) | 1.215 | 0 |
1 - 5 of 50 literature references

Reference #22019
Schultz-Johansen M; Stougaard P; Svensson B; Teze D
Characterization of five marine family 29 glycoside hydrolases reveals an α-L-fucosidase targeting specifically Fuc(α1,4)GlcNAc.
Published 2022 in Glycobiology, 32: 529-539
Reference contains 15 structures

Reference #21807
Bojar D; Meche L; Meng G; Eng W; Smith DF; Cummings RD; Mahal LK
A Useful Guide to Lectin Binding: Machine-Learning Directed Annotation of 57 Unique Lectin Specificities.
Published 2022 in ACS Chem Biol, : epub ahead of print
Reference contains 73 structures

Reference #22495
Wu AM
Loci and motifs of the GalNAcα1 → 3/O related glycotopes in the mammalian glycoconjugates and their lectin recognition roles.
Published 2022 in Glycoconj J, 39: 633-651
Reference contains 38 structures

Reference #21868
Feinberg H; Jégouzo SAF; Lasanajak Y; Smith DF; Drickamer K; Weis WI; Taylor ME
Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
Published 2021 in J Biol Chem, 296: 100368
Reference contains 37 structures

Reference #21197
Hobbs JK; Pluvinage B; Boraston AB
Glycan-metabolizing enzymes in microbe-host interactions: the Streptococcus pneumoniae paradigm.
Published 2018 in FEBS Lett., 592: 3865-3897
Reference contains 47 structures
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