1v1j
From Proteopedia
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| - | [[Image:1v1j.gif|left|200px]]<br /> | ||
| - | <applet load="1v1j" size="450" color="white" frame="true" align="right" spinBox="true" | ||
| - | caption="1v1j, resolution 2.2Å" /> | ||
| - | '''CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINTAE DEHYDRATASE FROM STREPTOMYCES COELICOLOR IN COMPLEX WITH 3-FLUORO'''<br /> | ||
| - | == | + | ==Crystal structure of type II Dehydroquintae Dehydratase from Streptomyces coelicolor in complex with 3-fluoro== |
| - | The fluoro analogue of the enolate intermediate in the reaction catalyzed | + | <StructureSection load='1v1j' size='340' side='right'caption='[[1v1j]], [[Resolution|resolution]] 2.20Å' scene=''> |
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[1v1j]] is a 12 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1V1J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1V1J FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FA3:2-ANHYDRO-3-FLUORO-QUINIC+ACID'>FA3</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1v1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1v1j OCA], [https://pdbe.org/1v1j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1v1j RCSB], [https://www.ebi.ac.uk/pdbsum/1v1j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1v1j ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/AROQ_STRCO AROQ_STRCO] Catalyzes a trans-dehydration via an enolate intermediate (By similarity).[HAMAP-Rule:MF_00169] | ||
| + | == Evolutionary Conservation == | ||
| + | [[Image:Consurf_key_small.gif|200px|right]] | ||
| + | Check<jmol> | ||
| + | <jmolCheckbox> | ||
| + | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/v1/1v1j_consurf.spt"</scriptWhenChecked> | ||
| + | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
| + | <text>to colour the structure by Evolutionary Conservation</text> | ||
| + | </jmolCheckbox> | ||
| + | </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=1v1j ConSurf]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases has been prepared from naturally occurring (-)-quinic acid over seven steps and has been shown to be the most potent inhibitor reported to date of the type II enzyme from Mycobacterium tuberculosis. | ||
| - | + | (1R,4S,5R)-3-Fluoro-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid: the fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases.,Frederickson M, Roszak AW, Coggins JR, Lapthorn AJ, Abell C Org Biomol Chem. 2004 Jun 7;2(11):1592-6. Epub 2004 May 6. PMID:15162210<ref>PMID:15162210</ref> | |
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| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | <div class="pdbe-citations 1v1j" style="background-color:#fffaf0;"></div> | |
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| - | + | ==See Also== | |
| + | *[[Dehydroquinase 3D structures|Dehydroquinase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Streptomyces coelicolor]] | ||
| + | [[Category: Coggins JR]] | ||
| + | [[Category: Lapthorn AJ]] | ||
| + | [[Category: Roszak AW]] | ||
Current revision
Crystal structure of type II Dehydroquintae Dehydratase from Streptomyces coelicolor in complex with 3-fluoro
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