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1w9b

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[[Image:1w9b.gif|left|200px]]<br />
 
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<applet load="1w9b" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1w9b, resolution 1.7&Aring;" />
 
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'''S. ALBA MYROSINASE IN COMPLEX WITH CARBA-GLUCOTROPAEOLIN'''<br />
 
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==Overview==
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==S. alba myrosinase in complex with carba-glucotropaeolin==
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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.
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<StructureSection load='1w9b' size='340' side='right'caption='[[1w9b]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1w9b]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Sinapis_alba Sinapis alba]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W9B OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1W9B FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.7&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CGT:CARBA-GLUCOTROPAEOLIN'>CGT</scene>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XYP:BETA-D-XYLOPYRANOSE'>XYP</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1w9b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1w9b OCA], [https://pdbe.org/1w9b PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1w9b RCSB], [https://www.ebi.ac.uk/pdbsum/1w9b PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1w9b ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/MYRA_SINAL MYRA_SINAL] Degradation of glucosinolates (glucose residue linked by a thioglucoside bound to an amino acid derivative) to glucose, sulfate and any of the products: thiocyanates, isothiocyanates, nitriles, epithionitriles or oxazolidine-2-thiones.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/w9/1w9b_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1w9b ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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.
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==About this Structure==
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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:15889170<ref>PMID:15889170</ref>
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1W9B 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 NAG, ZN, SO4, CGT and GOL 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]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1W9B OCA]].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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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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</div>
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<div class="pdbe-citations 1w9b" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Sinapis alba]]
[[Category: Sinapis alba]]
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[[Category: Single protein]]
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[[Category: Arzt S]]
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[[Category: Transferred entry: 3.2.1.147]]
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[[Category: Bourderioux A]]
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[[Category: Arzt, S.]]
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[[Category: Burmeister WP]]
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[[Category: Bourderioux, A.]]
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[[Category: Cottaz S]]
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[[Category: Burmeister, W.P.]]
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[[Category: Gueyrard D]]
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[[Category: Cottaz, S.]]
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[[Category: Lefoix M]]
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[[Category: Gueyrard, D.]]
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[[Category: Rollin P]]
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[[Category: Lefoix, M.]]
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[[Category: Tatibouet A]]
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[[Category: Rollin, P.]]
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[[Category: Tatibouet, A.]]
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[[Category: CGT]]
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[[Category: GOL]]
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[[Category: NAG]]
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[[Category: SO4]]
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[[Category: ZN]]
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[[Category: glucotropaeolin]]
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[[Category: glusosinolate]]
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[[Category: hydrolase]]
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[[Category: myrosinase]]
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[[Category: thio-glucoside]]
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[[Category: thioglucosidase]]
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[[Category: thioglycosidase]]
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[[Category: thiohydroximate]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 16:28:57 2007''
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Current revision

S. alba myrosinase in complex with carba-glucotropaeolin

PDB ID 1w9b

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