1w9d

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[[Image:1w9d.gif|left|200px]]<br /><applet load="1w9d" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1w9d.gif|left|200px]]
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caption="1w9d, resolution 1.6&Aring;" />
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'''S. ALBA MYROSINASE IN COMPLEX WITH S-ETHYL PHENYLACETOTHIOHYDROXIMATE-O-SULFATE'''<br />
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{{Structure
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|PDB= 1w9d |SIZE=350|CAPTION= <scene name='initialview01'>1w9d</scene>, resolution 1.6&Aring;
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|SITE= <scene name='pdbsite=AGB:Gol+Binding+Site+For+Chain+M'>AGB</scene>
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|LIGAND= <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=SEH:S-BENZYL+PHENYLACETOTHIOHYDROXIMATE-O-SULFATE'>SEH</scene> and <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Transferred_entry:_3.2.1.147 Transferred entry: 3.2.1.147], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.3.1 3.2.3.1]
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|GENE=
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}}
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'''S. ALBA MYROSINASE IN COMPLEX WITH S-ETHYL PHENYLACETOTHIOHYDROXIMATE-O-SULFATE'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1W9D is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Sinapis_alba Sinapis alba] with <scene name='pdbligand=NAG:'>NAG</scene>, <scene name='pdbligand=ZN:'>ZN</scene>, <scene name='pdbligand=SO4:'>SO4</scene>, <scene name='pdbligand=SEH:'>SEH</scene> and <scene name='pdbligand=GOL:'>GOL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Transferred_entry:_3.2.1.147 Transferred entry: 3.2.1.147], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.3.1 3.2.3.1] Known structural/functional Site: <scene name='pdbsite=AGB:Gol+Binding+Site+For+Chain+M'>AGB</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W9D OCA].
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1W9D is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Sinapis_alba Sinapis alba]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W9D OCA].
==Reference==
==Reference==
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The glucosinolate-myrosinase system. New insights into enzyme-substrate interactions by use of simplified inhibitors., Bourderioux A, Lefoix M, Gueyrard D, Tatibouet A, Cottaz S, Arzt S, Burmeister WP, Rollin P, Org Biomol Chem. 2005 May 21;3(10):1872-9. Epub 2005 Apr 14. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15889170 15889170]
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The glucosinolate-myrosinase system. New insights into enzyme-substrate interactions by use of simplified inhibitors., Bourderioux A, Lefoix M, Gueyrard D, Tatibouet A, Cottaz S, Arzt S, Burmeister WP, Rollin P, Org Biomol Chem. 2005 May 21;3(10):1872-9. Epub 2005 Apr 14. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15889170 15889170]
[[Category: Sinapis alba]]
[[Category: Sinapis alba]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: thiohydroximate]]
[[Category: thiohydroximate]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:41:51 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:54:00 2008''

Revision as of 12:54, 20 March 2008

Image:1w9d.gif


PDB ID 1w9d

Drag the structure with the mouse to rotate
, resolution 1.6Å
Sites:
Ligands: , , , and
Activity: Transferred entry: 3.2.1.147, with EC number 3.2.3.1
Coordinates: save as pdb, mmCIF, xml



S. ALBA MYROSINASE IN COMPLEX WITH S-ETHYL PHENYLACETOTHIOHYDROXIMATE-O-SULFATE


Overview

Myrosinase, a thioglucoside glucohydrolase, is the only enzyme able to hydrolyse glucosinolates, a unique family of molecules bearing an anomeric O-sulfated thiohydroximate function. Non-hydrolysable myrosinase inhibitors have been devised and studied for their biological interaction. Diverse modifications of the O-sulfate moiety did not result in a significant inhibitory effect, whereas replacing the D-glucopyrano residue by its carba-analogue allowed inhibition to take place. X-Ray experiments carried out after soaking allowed for the first time inclusion of a non-hydrolysable inhibitor inside the enzymatic pocket. Structural tuning of the aglycon part in its pocket is being used as a guide for the development of simplified and more potent inhibitors.

About this Structure

1W9D is a Single protein structure of sequence from Sinapis alba. Full crystallographic information is available from OCA.

Reference

The glucosinolate-myrosinase system. New insights into enzyme-substrate interactions by use of simplified inhibitors., Bourderioux A, Lefoix M, Gueyrard D, Tatibouet A, Cottaz S, Arzt S, Burmeister WP, Rollin P, Org Biomol Chem. 2005 May 21;3(10):1872-9. Epub 2005 Apr 14. PMID:15889170

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