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==Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with compound 5==
==Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with compound 5==
<StructureSection load='3n76' size='340' side='right' caption='[[3n76]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
<StructureSection load='3n76' size='340' side='right'caption='[[3n76]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[3n76]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3N76 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3N76 FirstGlance]. <br>
<table><tr><td colspan='2'>[[3n76]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3N76 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3N76 FirstGlance]. <br>
</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA2:(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC+ACID'>CA2</scene><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]] 1.9&#8491;</td></tr>
<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3n7a|3n7a]], [[3n86|3n86]], [[3n87|3n87]], [[3n8n|3n8n]]</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA2:(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC+ACID'>CA2</scene></td></tr>
<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">aroD, aroQ, MT2612, MTCY159.19, Rv2537c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis])</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=3n76 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3n76 OCA], [https://pdbe.org/3n76 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3n76 RCSB], [https://www.ebi.ac.uk/pdbsum/3n76 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3n76 ProSAT]</span></td></tr>
<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] </span></td></tr>
</table>
<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3n76 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3n76 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3n76 RCSB], [http://www.ebi.ac.uk/pdbsum/3n76 PDBsum]</span></td></tr>
== Function ==
<table>
[https://www.uniprot.org/uniprot/AROQ_MYCTU AROQ_MYCTU] Catalyzes a trans-dehydration via an enolate intermediate (By similarity).[HAMAP-Rule:MF_00169]
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.,Dias MV, Snee WC, Bromfield KM, Payne R, Palaninathan SK, Ciulli A, Howard NI, Abell C, Sacchettini JC, Blundell TL Biochem J. 2011 Mar 17. PMID:21410435<ref>PMID:21410435</ref>
Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.,Dias MV, Snee WC, Bromfield KM, Payne R, Palaninathan SK, Ciulli A, Howard NI, Abell C, Sacchettini JC, Blundell TL Biochem J. 2011 Mar 17. PMID:21410435<ref>PMID:21410435</ref>


From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
</div>
<div class="pdbe-citations 3n76" style="background-color:#fffaf0;"></div>
==See Also==
*[[Dehydroquinase 3D structures|Dehydroquinase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: 3-dehydroquinate dehydratase]]
[[Category: Large Structures]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Abell, C]]
[[Category: Blundell, T L.]]
[[Category: Bromfield, K M.]]
[[Category: Ciulli, A.]]
[[Category: Dias, M V.B.]]
[[Category: Howard, N I.]]
[[Category: Palaninathan, S K.]]
[[Category: Payne, R.]]
[[Category: Sacchettini, J C.]]
[[Category: Snee, W C]]
[[Category: Arod]]
[[Category: Dehydroquinate dehydratase]]
[[Category: Drug discovery]]
[[Category: Lyase]]
[[Category: Lyase-lyase inhibitor complex]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Shikimate pathway]]
[[Category: Abell C]]
[[Category: Blundell TL]]
[[Category: Bromfield KM]]
[[Category: Ciulli A]]
[[Category: Dias MVB]]
[[Category: Howard NI]]
[[Category: Palaninathan SK]]
[[Category: Payne R]]
[[Category: Sacchettini JC]]
[[Category: Snee WC]]
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