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Glycosciences.DB structure entry #6010:

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Format: CarbBank LINUCS GlycoCT_condensed GlycoCT_xml


 a-D-Neup5Ac-(2-3)-b-D-Galp-(1-4)+
                                 |
                            b-D-GlcpNAc-(1-1)-Methyl
                                 |
                   a-L-Fucp-(1-3)+


RES
1s:methyl
2b:b-dglc-HEX-1:5
3s:n-acetyl
4b:a-lgal-HEX-1:5|6:d
5b:b-dgal-HEX-1:5
6b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
7s:n-acetyl
LIN
1:1n(1+1)2o
2:2d(2+1)3n
3:2o(3+1)4d
4:2o(4+1)5d
5:5o(3+2)6d
6:6d(5+1)7n


<?xml version="1.0" encoding="UTF-8"?>
 <sugar version="1.0">
 <residues>
 <substituent id="1" name="methyl" />
 <basetype id="2" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <substituent id="3" name="n-acetyl" />
 <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>
 <basetype id="5" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </basetype>
 <basetype id="6" 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="7" name="n-acetyl" />
 </residues>
 <linkages>
 <connection id="1" parent="1" child="2">
 <linkage id="1" parentType="n" childType="o">
 <parent pos="1" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="2" parent="2" child="3">
 <linkage id="2" parentType="d" childType="n">
 <parent pos="2" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="3" parent="2" child="4">
 <linkage id="3" parentType="o" childType="d">
 <parent pos="3" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="4" parent="2" 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="2" />
 </linkage>
 </connection>
 <connection id="6" parent="6" child="7">
 <linkage id="6" parentType="d" childType="n">
 <parent pos="5" />
 <child pos="1" />
 </linkage>
 </connection>
 </linkages>
 </sugar>

SNFG-style Graphics

Corresponding entries: 13

1 - 5 of 13 entries with matching glycan part

Structure entry #149: 3'-Sialyl-LewisX tetrasaccharide (beta-anomeric form)

a-D-Neup5Ac-(2-3)-b-D-Galp-(1-4)+ | b-D-GlcpNAc | a-L-Fucp-(1-3)+

no NMR spectra

literature references

no GlycoMaps

Structure entry #1713:

a-D-Neup5Ac-(2-3)-b-D-Galp-(1-4)+ | b-D-GlcpNAc-(1-5)-5-hydroxy-hexanoate-(1-1)-Methyl | a-L-Fucp-(1-3)+

no 3d model

no NMR spectra

literature references

no GlycoMaps

Taxons

Structure entry #2173: 3'-Sialyl Lewis X antigen, CD15s

a-D-Neup5Ac-(2-3)-b-D-Galp-(1-4)+ | b-D-GlcpNAc-(1-3)-<rest of molecule> | a-L-Fucp-(1-3)+

no 3d model

no NMR spectra

literature references

no GlycoMaps

Structure entry #2218:

a-D-Neup5Ac-(2-3)-b-D-Galp-(1-4)+ | b-D-GlcpNAc-(1-1)-Allyl | a-L-Fucp-(1-3)+

no NMR spectra

literature references

no GlycoMaps

Taxons

Structure entry #2293:

a-D-Neup5Ac-(2-3)-b-D-Galp-(1-4)+ | b-D-GlcpNAc-(1-4)-Asn-(1-2)-Gly-(1-2)-Phe | a-L-Fucp-(1-3)+

no NMR spectra

literature references

no GlycoMaps

Taxons

Sialyl Lewis X (Show) (Search Database)

General Structure Data

Chemical Formula:	C₃₂H₅₄N₂O₂₃		#C	#H	#O	#N
Molec. Weight:	834		32	54	23	2
# Atoms:	111
# Residues:	5
# Heavy Atoms:	57

Superclasses:

Neu		Hex		Other
NeuAc	1	Hex	1	Me	1
		dHex	1
		HexNAc	1

Residues:

Residue	Count
A-D-NEUP5AC	1
A-L-FUCP	1
B-D-GALP	1
B-D-GLCPNAC	1
METHYL	1

PDB references: 4

1 - 4 of 4 PDB entries

PDB ID 4csy: E-selectin lectin, EGF-like and two SCR domains complexed with Sialyl Lewis X

Description: E-SELECTIN

Source: HOMO SAPIENS

Experimental method: X-RAY DIFFRACTION

Resolution: 2.41Å

Release date: 2014-09-24

Entry features 2 distinct glycan structures [16 instances].

PDB ID 1g1r: Crystal structure of P-selectin lectin/EGF domains complexed with SLeX

Description: P-SELECTIN

Source: Homo sapiens

Experimental method: X-RAY DIFFRACTION

Resolution: 3.4Å

Release date: 2001-10-13

Entry features 1 distinct glycan structures [3 instances].

PDB ID 1g1t: CRYSTAL STRUCTURE OF E-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH SLEX

Description: E-SELECTIN, SACCHARIDE COMPLEX

Source: Homo sapiens

Experimental method: X-RAY DIFFRACTION

Resolution: 1.5Å

Release date: 2001-10-13

Entry features 1 distinct glycan structures [1 instances].

PDB ID 2kmb: COMPLEX OF 3'-NEUAC-LEWIS-X WITH A SELECTIN-LIKE MUTANT OF MANNOSE-BINDING PROTEIN A

Description: MANNOSE-BINDING PROTEIN-A

Source: Rattus norvegicus

Experimental method: X-RAY DIFFRACTION

Resolution: 2Å

Release date: 1997-02-12

Entry features 2 distinct glycan structures [3 instances].

Literature references: 8

1 - 5 of 8 literature references

Reference #20704

Pröpster JM; Yang F; Rabbani S; Ernst B; Allain FH; Schubert M

Structural basis for sulfation-dependent self-glycan recognition by the human immune-inhibitory receptor Siglec-8.

Published 2016 in Proc. Natl. Acad. Sci. U.S.A., 113: E4170-9

Reference contains 6 structures

Reference #21114

Zierke M; Smieško M; Rabbani S; Aeschbacher T; Cutting B; Allain FH; Schubert M; Ernst B

Stabilization of branched oligosaccharides: Lewis(x) benefits from a nonconventional C-H···O hydrogen bond.

Published 2013 in J. Am. Chem. Soc., 135: 13464-72

Reference contains 2 structures

Reference #18180

Schubert M; Bleuler-Martinez S; Butschi A; Wälti MA; Egloff P; Stutz K; Yan S; Collot M; Mallet JM; Wilson IB; Hengartner MO; Aebi M; Allain FH; Künzler M

Plasticity of the β-trefoil protein fold in the recognition and control of invertebrate predators and parasites by a fungal defence system.

Published 2012 in PLoS Pathog., 8: e1002706

Reference contains 24 structures

Reference #11566

Coteron JM; Singh K; Asensio JL; Dominguez-Dalda M; Fernandez- Mayoralas A; Jimenez-Barbero J; Martin-Lomas M; Abad-Rodriguez J; Nieto- Sampedro M

Oligosaccharides structurally related to E-selectin ligands are inhibitors of neural cell division: Synthesis, conformational analysis, and biological activity

Published 1995 in J Org Chem, 60: 1502-1519

Reference contains 4 structures

Reference #2647

Mukhopadhyay C; Miller KE; Bush CA

Conformation of the oligosaccharide receptor for E-selectin

Published 1994 in Biopolymers, 34: 21-29

Reference contains 4 structures

Further literature references from PDB entries: 3

1 - 3 of 3 literature references from PDB entries

Reference #19240

Preston RC; Jakob RP; Binder FP; Sager CP; Ernst B; Maier T

E-selectin ligand complexes adopt an extended high-affinity conformation.

Published 2016 in J Mol Cell Biol, 8: 62-72

Reference #14729

Somers WS; Tang J; Shaw GD; Camphausen RT

Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.

Published 2000 in Cell, 103: 467-479

Reference contains 2 structures

Reference #19806

Structure of a selectin-like mutant of mannose-binding protein complexed with sialylated and sulfated Lewis(x) oligosaccharides.

Published 1997 in Biochemistry, 36: 979-88

Consortium for Functional Glycomics (CFG):

carbPDB_00002_D000

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