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Glycosciences.DB structure entry #409: Cellohexaose

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Format: CarbBank LINUCS GlycoCT_condensed GlycoCT_xml


 b-D-Glcp-(1-4)-b-D-Glcp-(1-4)-b-D-Glcp-(1-4)-b-D-Glcp-(1-4)-b-D-Glcp-(1-4)-D-Glc


RES
1b:x-dglc-HEX-x:x
2b:b-dglc-HEX-1:5
3b:b-dglc-HEX-1:5
4b:b-dglc-HEX-1:5
5b:b-dglc-HEX-1:5
6b:b-dglc-HEX-1:5
LIN
1:1o(4+1)2d
2:2o(4+1)3d
3:3o(4+1)4d
4:4o(4+1)5d
5:5o(4+1)6d


<?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-dglc-HEX-x:x">
 <stemtype id="1" type="dglc" />
 </basetype>
 <basetype id="2" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <basetype id="3" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <basetype id="4" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <basetype id="5" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <basetype id="6" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 </residues>
 <linkages>
 <connection id="1" parent="1" child="2">
 <linkage id="1" parentType="o" childType="d">
 <parent pos="4" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="2" parent="2" 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="4" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="4" parent="4" 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="4" />
 <child pos="1" />
 </linkage>
 </connection>
 </linkages>
 </sugar>

SNFG-style Graphics

3D Structure Model

download coordinates

Cellohexaose

General Structure Data

Chemical Formula:	C₃₆H₆₂O₃₁		#C	#H	#O
Molec. Weight:	990		36	62	31
# Atoms:	129
# Residues:	6
# Heavy Atoms:	67

Superclasses:

Hex
Hex	6

Residues:

Residue	Count
B-D-GLCP	5
D-GLC	1

NMR Carbon Chemical Shift Info

MHz	0
Temperature	0
Solvent	D2O
Note	Chemical shifts corrected. Terminal C-6 put at 61.7 ppm.
Residue	Linkage	Carbon	PPM	JFrom	JTo	Hz	Note
D-Glc		C1B	96.70			0
D-Glc		C2A	72.60			0
D-Glc		C2B	75.40			0
D-Glc		C3A	72.60			0
D-Glc		C3B	75.50			0
D-Glc		C4B	79.80			0
D-Glc		C5A	71.40			0
D-Glc		C5B	76.10			0
D-Glc		C6A	61.00			0
D-Glc		C6B	61.20			0
b-D-Glcp	4	C1	103.20			0
b-D-Glcp	4	C2	74.30			0
b-D-Glcp	4	C3	75.40			0
b-D-Glcp	4	C4	79.60			0
b-D-Glcp	4	C5	76.10			0
b-D-Glcp	4	C6	61.00			0
b-D-Glcp	4,4	C1	103.20			0
b-D-Glcp	4,4	C2	74.30			0
b-D-Glcp	4,4	C3	75.40			0
b-D-Glcp	4,4	C4	79.50			0
b-D-Glcp	4,4	C5	76.10			0
b-D-Glcp	4,4	C6	61.00			0
b-D-Glcp	4,4,4	C1	103.20			0
b-D-Glcp	4,4,4	C2	74.30			0
b-D-Glcp	4,4,4	C3	75.40			0
b-D-Glcp	4,4,4	C4	79.50			0
b-D-Glcp	4,4,4	C5	76.10			0
b-D-Glcp	4,4,4	C6	61.00			0
b-D-Glcp	4,4,4,4	C1	103.20			0
b-D-Glcp	4,4,4,4	C2	74.30			0
b-D-Glcp	4,4,4,4	C3	75.40			0
b-D-Glcp	4,4,4,4	C4	79.50			0
b-D-Glcp	4,4,4,4	C5	76.10			0
b-D-Glcp	4,4,4,4	C6	61.00			0
b-D-Glcp	4,4,4,4,4	C1	103.40			0
b-D-Glcp	4,4,4,4,4	C2	74.40			0
b-D-Glcp	4,4,4,4,4	C3	76.90			0
b-D-Glcp	4,4,4,4,4	C4	70.50			0
b-D-Glcp	4,4,4,4,4	C5	76.90			0
b-D-Glcp	4,4,4,4,4	C6	61.70			0

Literature references: 7

1 - 5 of 7 literature references

Reference #22052

Fittolani G; Vargová D; Seeberger PH; Ogawa Y; Delbianco M

Bottom-Up Approach to Understand Chirality Transfer across Scales in Cellulose Assemblies.

Published 2022 in J Am Chem Soc, :

Reference contains 10 structures

Reference #21853

Liberato MV; Teixeira Prates E; Gonçalves TA; Bernardes A; Vilela N; Fattori J; Ematsu GC; Chinaglia M; Machi Gomes ER; Migliorini Figueira AC; Damasio A; Polikarpov I; Skaf MS; Squina FM

Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on β-1,3 and β-1,4 glycosidic bonds.

Published 2021 in J Biol Chem, 296: 100385

Reference contains 12 structures

Reference #21851

Frandsen KEH; Haon M; Grisel S; Henrissat B; Lo Leggio L; Berrin JG

Identification of the molecular determinants driving the substrate specificity of fungal lytic polysaccharide monooxygenases (LPMOs).

Published 2021 in J Biol Chem, 296: 100086

Reference contains 11 structures

Reference #21109

Hamre AG; Kaupang A; Payne CM; Väljamäe P; Sørlie M

Thermodynamic Signatures of Substrate Binding for Three Thermobifida fusca Cellulases with Different Modes of Action.

Published 2019 in Biochemistry, 58: 1648-1659

Reference contains 4 structures

Reference #6574

Lo AC; Barbier JR; Willick GE

Kinetics and specificities of two closely related .beta.-glucosidases secreted by Schizophyllum commune

Published 1990 in Eur J Biochem, 192: 175-181

Reference contains 4 structures

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