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4kij

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==Design and structural analysis of aromatic inhibitors of type II dehydroquinase dehydratase from Mycobacterium tuberculosis - compound 35c [3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid]==
==Design and structural analysis of aromatic inhibitors of type II dehydroquinase dehydratase from Mycobacterium tuberculosis - compound 35c [3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid]==
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<StructureSection load='4kij' size='340' side='right' caption='[[4kij]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
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<StructureSection load='4kij' size='340' side='right'caption='[[4kij]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4kij]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KIJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4KIJ FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4kij]] 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=4KIJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4KIJ FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=KIJ:3,4-DIHYDROXY-5-(3-NITROPHENOXY)BENZOIC+ACID'>KIJ</scene></td></tr>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=KIJ:3,4-DIHYDROXY-5-(3-NITROPHENOXY)BENZOIC+ACID'>KIJ</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4ki7|4ki7]], [[4kim|4kim]], [[4kiu|4kiu]], [[4kiw|4kiw]], [[4kl9|4kl9]], [[4klx|4klx]], [[4km0|4km0]], [[4km2|4km2]]</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=4kij FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kij OCA], [https://pdbe.org/4kij PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4kij RCSB], [https://www.ebi.ac.uk/pdbsum/4kij PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4kij ProSAT]</span></td></tr>
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<tr id='gene'><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 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</td></tr>
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<tr id='activity'><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>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4kij FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kij OCA], [http://pdbe.org/4kij PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4kij RCSB], [http://www.ebi.ac.uk/pdbsum/4kij PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4kij ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/AROQ_MYCTU AROQ_MYCTU]] Catalyzes a trans-dehydration via an enolate intermediate (By similarity).[HAMAP-Rule:MF_00169]
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[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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</div>
</div>
<div class="pdbe-citations 4kij" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 4kij" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Dehydroquinase 3D structures|Dehydroquinase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: 3-dehydroquinate dehydratase]]
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[[Category: Large Structures]]
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[[Category: Abell, C]]
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[[Category: Mycobacterium tuberculosis]]
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[[Category: Blundell, T L]]
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[[Category: Abell C]]
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[[Category: Dias, M V.B]]
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[[Category: Blundell TL]]
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[[Category: Howard, N G]]
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[[Category: Dias MVB]]
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[[Category: Dehydratase]]
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[[Category: Howard NG]]
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[[Category: Lyase-lyase inhibitor complex]]
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Revision as of 08:53, 7 December 2022

Design and structural analysis of aromatic inhibitors of type II dehydroquinase dehydratase from Mycobacterium tuberculosis - compound 35c [3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid]

PDB ID 4kij

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