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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: 118

1 - 5 of 118 literature references

Reference #13353

McQueen-Mason SJ; Cosgrove DJ

Expansin mode of action on cell walls - Analysis of wall hydrolysis, stress relaxation, and binding

Published 1995 in Plant Physiol, 107: 87-100

Reference contains 2 structures

Christakopoulos P; Kekos D; Macris BJ; Claeyssens M; Bhat MK

Purification and characterization of a less randomly acting endo-1,4-.beta.-D-glucanase from the culture filtrates of Fusarium oxysporum

Published 1995 in Arch Biochem Biophys, 316: 428-433

Reference contains 1 structure

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 #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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