1e5j: Difference between revisions

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[[Image:1e5j.gif|left|200px]]
{{Seed}}
[[Image:1e5j.png|left|200px]]


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{{STRUCTURE_1e5j|  PDB=1e5j  |  SCENE=  }}  
{{STRUCTURE_1e5j|  PDB=1e5j  |  SCENE=  }}  


'''ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE TETRAGONAL CRYSTAL FORM IN COMPLEX WITH METHYL-4II-S-ALPHA-CELLOBIOSYL-4II-THIO BETA-CELLOBIOSIDE'''
===ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE TETRAGONAL CRYSTAL FORM IN COMPLEX WITH METHYL-4II-S-ALPHA-CELLOBIOSYL-4II-THIO BETA-CELLOBIOSIDE===




==Overview==
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A new class of inhibitors for beta-D-glycoside hydrolases, in which a single alpha-(1--&gt;4)-glycosidic bond is incorporated into an otherwise all-beta-(1--&gt;4)-linked oligosaccharide, is described. Such mixed beta/alpha-linkage cellooligosaccharides are not transition-state mimics, but instead are capable of utilising binding energy from numerous subsites, spanning either side of the catalytic centre, without the need for substrate distortion. This binding is significant; a mixed alpha/beta-D-tetrasaccharide acts competitively on a number of cellulases, displaying inhibition constants in the range of 40-300 microM. Using the Bacillus agaradhaerens enzyme Cel5A as a model system, one such mixed beta/alpha-cellooligosaccharide, methyl 4(II),4(III)-dithio-alpha-cellobiosyl-(1--&gt;4)-beta-cellobioside, displays a K(i) value of 100 microM, an inhibition at least 150 times better than is observed with an equivalent all-beta-linked compound. The three-dimensional structure of B. agaradhaerens Cel5A in complex with methyl 4(II),4(III)-dithio-alpha-cellobiosyl-(1--&gt;4)-beta-cellobioside has been determined at 1.8 A resolution. This confirms the expected mode of binding in which the ligand, with all four pyranosides in the (4)C(1) chair conformation, occupies the -3, -2 and +1 subsites whilst evading the catalytic (-1) subsite. Such "by-pass" compounds offer great scope for the development of a new class of beta-D-glycoside hydrolase inhibitors.
The line below this paragraph, {{ABSTRACT_PUBMED_11828460}}, adds the Publication Abstract to the page
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{{ABSTRACT_PUBMED_11828460}}


==About this Structure==
==About this Structure==
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[[Category: Glycoshydrolase family 5]]
[[Category: Glycoshydrolase family 5]]
[[Category: Hydrolase]]
[[Category: Hydrolase]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 14:41:26 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 00:10:58 2008''

Revision as of 21:11, 30 June 2008

File:1e5j.png

Template:STRUCTURE 1e5j

ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE TETRAGONAL CRYSTAL FORM IN COMPLEX WITH METHYL-4II-S-ALPHA-CELLOBIOSYL-4II-THIO BETA-CELLOBIOSIDE

Template:ABSTRACT PUBMED 11828460

About this Structure

1E5J is a Single protein structure of sequence from Bacillus agaradhaerens. Full crystallographic information is available from OCA.

Reference

Mixed-linkage cellooligosaccharides: a new class of glycoside hydrolase inhibitors., Fort S, Varrot A, Schulein M, Cottaz S, Driguez H, Davies GJ, Chembiochem. 2001 May 4;2(5):319-25. PMID:11828460

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