Glycosciences.de - Glycosciences.DB entry 284

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Glycosciences.DB structure entry #284:


 a-D-Neup5Ac-(2-6)-b-D-Galp-(1-4)-b-D-GlcpNAc-(1-4)-Asn


<?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="non" ringStart="2" ringEnd="6" name="a-dgro-dgal-NON-2:6|1:a|2:keto|3:d">
 <stemtype id="1" type="dgro" />
 <stemtype id="2" type="dgal" />
 <modification type="a" pos_one="1" />
 <modification type="keto" pos_one="2" />
 <modification type="d" pos_one="3" />
 </basetype>
 <substituent id="5" name="n-acetyl" />
 </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="o" childType="d">
 <parent pos="6" />
 <child pos="2" />
 </linkage>
 </connection>
 <connection id="4" parent="4" child="5">
 <linkage id="4" parentType="d" childType="n">
 <parent pos="5" />
 <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: 9

1 - 5 of 9 entries with matching glycan part

Structure entry #524:

a-D-Neup5Ac-(2-6)-b-D-Galp-(1-4)-b-D-GlcpNAc-(1-1)-Methyl

: 6

Taxons

Structure entry #598:

a-D-Neup5Ac-(2-6)-b-D-Galp-(1-4)-b-D-GlcpNAc-(1-4)+ | Asn-(1-2)-Ser-(1-2)-Thr-(1-2)-Ile | <(allyloxy)carbonyl>-(1-2)-Phe-(1-2)+

: 2

Taxons

Structure entry #599:

a-D-Neup5Ac-(2-6)-b-D-Galp-(1-4)-b-D-GlcpNAc-(1-4)+ | Asn-(1-2)-Gly-(1-2)-Gly | Gly-(1-2)-Gly-(1-2)+

: 2

Taxons

Structure entry #6656: 6'-Sialyllactosamin

a-D-Neup5Ac-(2-6)-b-D-Galp-(1-4)-b-D-GlcpNAc

: 38

: 14

Taxons: 1

Structure entry #14349:

a-D-Neup5Ac-(2-6)-b-D-Galp-(1-4)-b-D-GlcpNAc-(1-1)-Pent-4-en-1-ol

Taxons

Lactosamine (Show) (Search Database)

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General Structure Data

Chemical Formula:	C₂₉H₄₈N₄O₂₀	#C	#H	#O	#N
Molec. Weight:	772	29	48	20	4
# Atoms:	101
# Residues:	4
# Heavy Atoms:	53

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Composition

Superclasses:

Neu		Hex
NeuAc	1	Hex	1
		HexNAc	1

Residues:

Residue	Count
A-D-NEUP5AC	1
ASN	1
B-D-GALP	1
B-D-GLCPNAC	1

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NMR Proton Chemical Shift Info

MHz	500
Temperature	281
Solvent	D2O
Residue	Linkage	Proton	PPM	JFrom	JTo	Hz	Note
Asn		HA	3.987	a	b	6.7
Asn		HB	2.866	a	b'	4.5
Asn		HB'	2.955	b	b'	-17.2
b-D-GlcpNAc	4	H1	5.134	1	2	9.8
b-D-GlcpNAc	4	H2	3.881	2	3	10.4
b-D-GlcpNAc	4	H3	3.802	3	4	9
b-D-GlcpNAc	4	H4	3.682	4	5	10
b-D-GlcpNAc	4	H5	3.685	5	6	2
b-D-GlcpNAc	4	H6	3.929	5	6'	5.7
b-D-GlcpNAc	4	H6'	3.828	6	6'	-12.5
b-D-GlcpNAc	4	NAC	2.042			0
b-D-Galp	4,4	H1	4.447	1	2	7.9
b-D-Galp	4,4	H2	3.537	2	3	10
b-D-Galp	4,4	H3	3.668	3	4	3.6
b-D-Galp	4,4	H4	3.917	4	5	1.6
b-D-Galp	4,4	H5	3.825	5	6	3.6
b-D-Galp	4,4	H6	3.528	5	6'	9.2
b-D-Galp	4,4	H6'	3.996	6	6'	-10.4
a-D-Neup5Ac	6,4,4	H3A	1.717	3a	3e	-12.5
a-D-Neup5Ac	6,4,4	H3E	2.662	3a	4	12
a-D-Neup5Ac	6,4,4	H4	3.639	3e	4	4.9
a-D-Neup5Ac	6,4,4	H5	3.805	4	5	9.9
a-D-Neup5Ac	6,4,4	H6	3.694	5	6	10.6
a-D-Neup5Ac	6,4,4	H7	3.547	6	7	1.8
a-D-Neup5Ac	6,4,4	H8	3.889	7	8	9
a-D-Neup5Ac	6,4,4	H9	3.875	8	9	2.3
a-D-Neup5Ac	6,4,4	H9'	3.627	8	9'	6.6
a-D-Neup5Ac	6,4,4	NAC	2.028	9	9'	-12.2