Glycosciences.de - Glycosciences.DB entry 272

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Glycosciences.DB structure entry #272:


                                                             a-L-Fucp-(1-6)+
                                                                           |
 b-D-Galp-(1-4)+                                                      b-D-GlcpNAc-(1-4)-Asn
               |                                                           |
          b-D-GlcpNAc-(1-2)-a-D-Manp-(1-3)-b-D-Manp-(1-4)-b-D-GlcpNAc-(1-4)+
               |
 a-L-Fucp-(1-3)+


<?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-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <substituent id="4" name="n-acetyl" />
 <basetype id="5" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dman-HEX-1:5">
 <stemtype id="1" type="dman" />
 </basetype>
 <basetype id="6" anomer="a" superclass="hex" ringStart="1" ringEnd="5" name="a-dman-HEX-1:5">
 <stemtype id="1" type="dman" />
 </basetype>
 <basetype id="7" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <substituent id="8" name="n-acetyl" />
 <basetype id="9" 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="10" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </basetype>
 <basetype id="11" 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="4" />
 <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>
 <connection id="4" parent="3" child="5">
 <linkage id="4" parentType="o" childType="d">
 <parent pos="4" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="5" parent="5" child="6">
 <linkage id="5" parentType="o" childType="d">
 <parent pos="3" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="6" parent="6" child="7">
 <linkage id="6" parentType="o" childType="d">
 <parent pos="2" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="7" parent="7" child="8">
 <linkage id="7" parentType="d" childType="n">
 <parent pos="2" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="8" parent="7" child="9">
 <linkage id="8" parentType="o" childType="d">
 <parent pos="3" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="9" parent="7" child="10">
 <linkage id="9" parentType="o" childType="d">
 <parent pos="4" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="10" parent="1" child="11">
 <linkage id="10" parentType="o" childType="d">
 <parent pos="6" />
 <child pos="1" />
 </linkage>
 </connection>
 </linkages>
 <aglyca>
 <historicalData>
 <entry id="0" name="ASN" toResidue="1">
 <linkage parentType="n" childType="x">
 <parent pos="4" />
 <child pos="1" />
 </linkage>
 </entry>
 </historicalData>
 </aglyca>
 </sugar>

download coordinates

Corresponding entries: 1

1 - 1 of 1 entries with matching glycan part

Structure entry #22986:

b-D-Galp-(1-4)+ a-L-Fucp-(1-6)+ | | b-D-GlcpNAc-(1-2)-a-D-Manp-(1-3)-b-D-Manp-(1-4)-b-D-GlcpNAc-(1-4)-b-D-GlcpNAc | a-L-Fucp-(1-3)+

no Ref

Taxons

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Motifs: 1

Lewis X (Show) (Search Database)

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General Structure Data

Chemical Formula:	C₅₈H₉₇N₅O₄₀	#C	#H	#O	#N
Molec. Weight:	1504	58	97	40	5
# Atoms:	200
# Residues:	9
# Heavy Atoms:	103

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Composition

Superclasses:

Hex
Hex	3
dHex	2
HexNAc	3

Residues:

Residue	Count
A-D-MANP	1
A-L-FUCP	2
ASN	1
B-D-GALP	1
B-D-GLCPNAC	3
B-D-MANP	1

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NMR Proton Chemical Shift Info

MHz	400
Temperature	300
Solvent	D2O
Residue	Linkage	Proton	PPM	JFrom	JTo	Hz	Note
b-D-GlcpNAc	4	H1	5.071			0
b-D-GlcpNAc	4	NAC	2.016			0
a-L-Fucp	6,4	H1	4.877			0
a-L-Fucp	6,4	H5	4.121			0
a-L-Fucp	6,4	CH3	1.206			0
b-D-GlcpNAc	4,4	H1	4.676			0
b-D-GlcpNAc	4,4	NAC	2.072			0
b-D-Manp	4,4,4	H1	4.775			0
b-D-Manp	4,4,4	H2	4.228			0
a-D-Manp	3,4,4,4	H1	5.110			0
a-D-Manp	3,4,4,4	H2	4.184			0
b-D-GlcpNAc	2,3,4,4,4	H1	4.580			0
b-D-GlcpNAc	2,3,4,4,4	NAC	2.043			0
b-D-Galp	4,2,3,4,4,4	H1	4.441			0
a-L-Fucp	3,2,3,4,4,4	H1	5.123			0
a-L-Fucp	3,2,3,4,4,4	H5	4.822			0
a-L-Fucp	3,2,3,4,4,4	CH3	1.172			0