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Glycosciences.DB structure entry #2777: Blood group A trisaccharide

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Format: CarbBank LINUCS GlycoCT_condensed GlycoCT_xml


 a-D-GalpNAc-(1-3)+
                  |
               D-Gal
                  |
    a-L-Fucp-(1-2)+


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>

SNFG-style Graphics

3D Structure Model

download coordinates

General Structure Data

Chemical Formula:	C₂₀H₃₅N₁O₁₅		#C	#H	#O	#N
Molec. Weight:	529		20	35	15	1
# Atoms:	71
# Residues:	3
# Heavy Atoms:	36

Superclasses:

Hex
Hex	1
dHex	1
HexNAc	1

Residues:

Residue	Count
A-D-GALPNAC	1
A-L-FUCP	1
D-GAL	1

NMR Proton Chemical Shift Info

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

Literature references: 49

1 - 5 of 49 literature references

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 #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 #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

Reference #20489

Lubkowski J; Durbin SV; Silva MC; Farnsworth D; Gildersleeve JC; Oliva ML; Wlodawer A

Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth.

Published 2017 in FEBS J., 284: 429-450

Reference contains 16 structures

NCBI Taxonomy ID	Scientific Name
10026	Cricetinae
9606	Homo sapiens
10114	Rattus
9823	Sus scrofa

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