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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

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

Reference #13596

Halliwell G; Phillips TM; Halliwell N

Microcrystalline forms of cellulose as substrates for strains of Clostridium thermocellum and cellulase formation

Published 1995 in Process Biochem, 30: 243-250

Reference contains 2 structures

Reference #5194

Samain E; Lancelon-Pin C; Ferigo F; Moreau V; Chanzy H; Heyraud A; Driguez H

Phosphorolytic synthesis of cellodextrins

Published 1995 in Carbohydr Res, 271: 217-226

Reference contains 1 structure

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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