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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: 125

1 - 5 of 125 literature references

Reference #21857

Møller MS; El Bouaballati S; Henrissat B; Svensson B

Functional diversity of three tandem C-terminal carbohydrate-binding modules of a β-mannanase.

Published 2021 in J Biol Chem, 296: 100638

Reference contains 4 structures

Reference #21840

Gado JE; Harrison BE; Sandgren M; Ståhlberg J; Beckham GT; Payne CM

Machine learning reveals sequence-function relationships in family 7 glycoside hydrolases.

Published 2021 in J Biol Chem, 297: 100931

Reference contains 2 structures

Reference #21869

Chundawat SPS; Nemmaru B; Hackl M; Brady SK; Hilton MA; Johnson MM; Chang S; Lang MJ; Huh H; Lee SH; Yarbrough JM; López CA; Gnanakaran S

Molecular origins of reduced activity and binding commitment of processive cellulases and associated carbohydrate-binding proteins to cellulose III.

Published 2021 in J Biol Chem, 296: 100431

Reference contains 1 structure

Reference #21855

Keller MB; Badino SF; Røjel N; Sørensen TH; Kari J; McBrayer B; Borch K; Blossom BM; Westh P

A comparative biochemical investigation of the impeding effect of C1-oxidizing LPMOs on cellobiohydrolases.

Published 2021 in J Biol Chem, 296: 100504

Reference contains 2 structures

Reference #21816

Nakamura A; Ishiwata D; Visootsat A; Uchiyama T; Mizutani K; Kaneko S; Murata T; Igarashi K; Iino R

Domain architecture divergence leads to functional divergence in binding and catalytic domains of bacterial and fungal cellobiohydrolases.

Published 2020 in J Biol Chem, 295: 14606-14617

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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