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Glycosciences.DB structure entry #20: Cellulose

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Format: CarbBank LINUCS GlycoCT_condensed GlycoCT_xml


 b-D-Glcp-(1-[4)-b-D-Glcp-(1]n-4)-D-Glc


RES
1b:x-dglc-HEX-x:x
2r:r1
3b:b-dglc-HEX-1:5
LIN
1:1o(4+1)2n
2:2n(4+1)3d
REP
REP1:4o(4+1)4d=-1--1
RES
4b:b-dglc-HEX-1:5


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

SNFG-style Graphics

3D Structure Model

download coordinates

Cellulose

General Structure Data

Chemical Formula:	C₁₈H₃₂O₁₆		#C	#H	#O
Molec. Weight:	504		18	32	16
# Atoms:	66
# Residues:	3
# Heavy Atoms:	34

Superclasses:

Hex
Hex	3

Residues:

Residue	Count
B-D-GLCP	2
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		C1A	92.90			0
D-Glc		C1B	96.80			0
D-Glc		C2A	72.30			0
D-Glc		C2B	75.00			0
D-Glc		C3A	72.40			0
D-Glc		C3B	75.30			0
D-Glc		C4A	79.80			0
D-Glc		C4B	79.60			0
D-Glc		C5A	71.20			0
D-Glc		C5B	75.90			0
D-Glc		C6A	61.00			0
D-Glc		C6B	61.10			0
b-D-Glcp	4	C1	103.40			0
b-D-Glcp	4	C2	74.00			0
b-D-Glcp	4	C3	75.10			0
b-D-Glcp	4	C4	79.50			0
b-D-Glcp	4	C5	75.90			0
b-D-Glcp	4	C6	61.00			0
b-D-Glcp	4,4	C1	103.60			0
b-D-Glcp	4,4	C2	74.20			0
b-D-Glcp	4,4	C3	76.60			0
b-D-Glcp	4,4	C4	70.50			0
b-D-Glcp	4,4	C5	77.00			0
b-D-Glcp	4,4	C6	61.70			0

Literature references: 120

1 - 5 of 120 literature references

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 #21111

Laurent CVFP; Breslmayr E; Tunega D; Ludwig R; Oostenbrink C

Interaction between Cellobiose Dehydrogenase and Lytic Polysaccharide Monooxygenase.

Published 2019 in Biochemistry, 58: 1226-1235

Reference contains 1 structure

Reference #3304

Weightman RM; Renard CMGC; Gallant DJ; Thibault JF

Structure and properties of the polysaccharides from pea hulls. II. Modification of the composition and physico-chemical properties of pea hulls by chemical extraction of the constituent polysaccharides

Published 1995 in Carbohydr Polym, 26: 121-128

Reference contains 1 structure

Reference #2770

Tonouchi N; Tahara N; Tsuchida T; Yoshinaga F; Beppu T; Horinouchi S

Addition of a small amount of an endoglucanase enhances cellulose production by Acetobacter xylinum

Published 1995 in Biosci Biotechnol Biochem, 59: 805-808

Reference contains 1 structure

Wong CH; Halcomb RL; Ichikawa Y; Kajimoto T

Enzymes in organic synthesis: application to the problems of carbohydrate recognition (Part 2)

Published 1995 in Angew Chem Int Ed, 34: 521-546

Reference contains 45 structures

NCBI Taxonomy ID	Scientific Name
3659	Cucumis sativus
3660	Cucurbita
112509	Hordeum vulgare subsp. vulgare
4006	Linum usitatissimum
4081	Lycopersicon esculentum
4087	Nicotiana alata
4577	Zea mays

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