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* Residue conservation analysis
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PDB id:
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Hydrolase
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Title:
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Catalytic domain of endo-1,4-glucanase cel6a from thermobifida fusca in complex with methyl cellobiosyl-4- thio-beta-cellobioside
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Structure:
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Endoglucanase e-2. Chain: x. Fragment: catalytic domain, residues 32-317. Synonym: endo-1,4-beta-glucanase e-2, cellulase e-2, cellulase e2. Engineered: yes
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Source:
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Thermomonospora fusca. Organism_taxid: 2021. Atcc: 27730. Expressed in: escherichia coli. Expression_system_taxid: 469008.
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Resolution:
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1.5Å
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R-factor:
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0.186
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R-free:
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0.214
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Authors:
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A.M.Larsson,T.Bergfors,E.Dultz,D.C.Irwin,A.Roos,H.Driguez, D.B.Wilson,T.A.Jones
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Key ref:
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A.M.Larsson
et al.
(2005).
Crystal structure of Thermobifida fusca endoglucanase Cel6A in complex with substrate and inhibitor: the role of tyrosine Y73 in substrate ring distortion.
Biochemistry,
44,
12915-12922.
PubMed id:
DOI:
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Date:
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10-Apr-05
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Release date:
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05-Oct-05
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PROCHECK
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Headers
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References
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P26222
(GUN2_THEFU) -
Endoglucanase E-2
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Seq:
Struc:
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441 a.a.
279 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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Enzyme class:
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E.C.3.2.1.4
- Cellulase.
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Reaction:
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Endohydrolysis of 1,4-beta-D-glucosidic linkages in cellulose, lichenin and cereal beta-D-glucans.
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Gene Ontology (GO) functional annotation
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Biological process
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carbohydrate metabolic process
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2 terms
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Biochemical function
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hydrolase activity, hydrolyzing O-glycosyl compounds
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1 term
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DOI no:
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Biochemistry
44:12915-12922
(2005)
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PubMed id:
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Crystal structure of Thermobifida fusca endoglucanase Cel6A in complex with substrate and inhibitor: the role of tyrosine Y73 in substrate ring distortion.
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A.M.Larsson,
T.Bergfors,
E.Dultz,
D.C.Irwin,
A.Roos,
H.Driguez,
D.B.Wilson,
T.A.Jones.
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ABSTRACT
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Endoglucanase Cel6A from Thermobifida fusca hydrolyzes the beta-1,4 linkages in
cellulose at accessible points along the polymer. The structure of the catalytic
domain of Cel6A from T. fusca in complex with a nonhydrolysable substrate
analogue that acts as an inhibitor, methylcellobiosyl-4-thio-beta-cellobioside
(Glc(2)-S-Glc(2)), has been determined to 1.5 A resolution. The glycosyl unit in
subsite -1 was sterically hindered by Tyr73 and forced into a distorted (2)S(o)
conformation. In the enzyme where Tyr73 was mutated to a serine residue, the
hindrance was removed and the glycosyl unit in subsite -1 had a relaxed (4)C(1)
chair conformation. The relaxed conformation was seen in two complex structures
of the mutated enzyme, with cellotetrose (Glc(4)) at 1.64 A and Glc(2)-S-Glc(2)
at 1.04 A resolution.
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Literature references that cite this PDB file's key reference
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PubMed id
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Reference
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D.W.Cockburn,
and
A.J.Clarke
(2011).
Modulating the pH-activity profile of cellulase A from Cellulomonas fimi by replacement of surface residues.
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Protein Eng Des Sel, 24,
429-437.
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D.B.Jordan,
and
J.D.Braker
(2010).
beta-D-Xylosidase from Selenomonas ruminantium: role of glutamate 186 in catalysis revealed by site-directed mutagenesis, alternate substrates, and active-site inhibitor.
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Appl Biochem Biotechnol, 161,
395-410.
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C.E.McGrath,
T.V.Vuong,
and
D.B.Wilson
(2009).
Site-directed mutagenesis to probe catalysis by a Thermobifida fusca beta-1,3-glucanase (Lam81A).
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Protein Eng Des Sel, 22,
375-382.
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T.V.Vuong,
and
D.B.Wilson
(2009).
The absence of an identifiable single catalytic base residue in Thermobifida fusca exocellulase Cel6B.
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FEBS J, 276,
3837-3845.
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E.J.Dimise,
P.F.Widboom,
and
S.D.Bruner
(2008).
Structure elucidation and biosynthesis of fuscachelins, peptide siderophores from the moderate thermophile Thermobifida fusca.
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Proc Natl Acad Sci U S A, 105,
15311-15316.
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B.Mertz,
A.D.Hill,
C.Mulakala,
and
P.J.Reilly
(2007).
Automated docking to explore subsite binding by glycoside hydrolase family 6 cellobiohydrolases and endoglucanases.
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Biopolymers, 87,
249-260.
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F.Mingardon,
A.Chanal,
A.M.López-Contreras,
C.Dray,
E.A.Bayer,
and
H.P.Fierobe
(2007).
Incorporation of fungal cellulases in bacterial minicellulosomes yields viable, synergistically acting cellulolytic complexes.
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Appl Environ Microbiol, 73,
3822-3832.
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The most recent references are shown first.
Citation data come partly from CiteXplore and partly
from an automated harvesting procedure. Note that this is likely to be
only a partial list as not all journals are covered by
either method. However, we are continually building up the citation data
so more and more references will be included with time.
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Links
