3zj6

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'''Unreleased structure'''
 
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The entry 3zj6 is ON HOLD until Paper Publication
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==Crystal of Raucaffricine Glucosidase in complex with inhibitor==
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<StructureSection load='3zj6' size='340' side='right'caption='[[3zj6]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3zj6]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Rauvolfia_serpentina Rauvolfia serpentina]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3ZJ6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3ZJ6 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]] 2.4&#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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VM2:(1R,2S,3S,4R,5R)-4-(CYCLOHEXYLMETHYLAMINO)-5-(HYDROXYMETHYL)CYCLOPENTANE-1,2,3-TRIOL'>VM2</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=3zj6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3zj6 OCA], [https://pdbe.org/3zj6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3zj6 RCSB], [https://www.ebi.ac.uk/pdbsum/3zj6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3zj6 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/RG1_RAUSE RG1_RAUSE] Glucosidase specifically involved in alkaloid biosynthesis leading to the accumulation of several alkaloids, including ajmaline, an important plant-derived pharmaceutical used in the treatment of heart disorders.<ref>PMID:10975500</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Abstract Insight into the structure and inhibition mechanism of O-beta-d-glucosidases by deoxa-pyranosylamine type inhibitors is provided by X-ray analysis of complexes between raucaffricine and strictosidine glucosidases and N-(cyclohexylmethyl)-, N-(cyclohexyl)- and N-(bromobenzyl)-beta-d-gluco-1,5-deoxa-pyranosylamine. All inhibitors anchored exclusively in the catalytic active site by competition with appropriate enzyme substrates. Thus facilitated prospective elucidation of the binding networks with residues located at &lt;3.9 A distance will enable the development of potent inhibitors suitable for the production of valuable alkaloid glucosides, raucaffricine and strictosidine, by means of synthesis in Rauvolfia serpentina cell suspension cultures.
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Authors: Xia, L., Lin, H., Panjikar, S., Ruppert, M., Castiglia, A., Rajendran, C., Wang, M., Schuebel, H., Warzecha, H., Jaeger, V., Stoeckigt, J.
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Ligand structures of synthetic deoxa-pyranosylamines with raucaffricine and strictosidine glucosidases provide structural insights into their binding and inhibitory behaviours.,Xia L, Lin H, Staniek A, Panjikar S, Ruppert M, Hilgers P, Williardt J, Rajendran C, Wang M, Warzecha H, Jager V, Stockigt J J Enzyme Inhib Med Chem. 2014 Aug 20:1-7. PMID:25140865<ref>PMID:25140865</ref>
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Description: Crystal of Raucaffricine Glucosidase in complex with inhibitor
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3zj6" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Beta-glucosidase 3D structures|Beta-glucosidase 3D structures]]
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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]]
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[[Category: Rauvolfia serpentina]]
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[[Category: Castiglia A]]
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[[Category: Jaeger V]]
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[[Category: Lin H]]
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[[Category: Panjikar S]]
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[[Category: Rajendran C]]
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[[Category: Ruppert M]]
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[[Category: Schuebel H]]
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[[Category: Stoeckigt J]]
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[[Category: Wang M]]
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[[Category: Warzecha H]]
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[[Category: Xia L]]

Current revision

Crystal of Raucaffricine Glucosidase in complex with inhibitor

PDB ID 3zj6

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