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2y71

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<StructureSection load='2y71' size='340' side='right' caption='[[2y71]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
<StructureSection load='2y71' size='340' side='right' caption='[[2y71]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[2y71]] 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=2Y71 OCA]. <br>
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<table><tr><td colspan='2'>[[2y71]] 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=2Y71 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2Y71 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CB6:(1R,4S,5R)-1,4,5-TRIHYDROXY-3-[(5-METHYL-1-BENZOTHIOPHEN-2-YL)METHOXY]CYCLOHEX-2-ENE-1-CARBOXYLIC+ACID'>CB6</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CB6:(1R,4S,5R)-1,4,5-TRIHYDROXY-3-[(5-METHYL-1-BENZOTHIOPHEN-2-YL)METHOXY]CYCLOHEX-2-ENE-1-CARBOXYLIC+ACID'>CB6</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1h0r|1h0r]], [[2xb8|2xb8]], [[1h05|1h05]], [[2dhq|2dhq]], [[1h0s|1h0s]], [[2y76|2y76]], [[2y77|2y77]]</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1h0r|1h0r]], [[2xb8|2xb8]], [[1h05|1h05]], [[2dhq|2dhq]], [[1h0s|1h0s]], [[2y76|2y76]], [[2y77|2y77]]</td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span></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><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2y71 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y71 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2y71 RCSB], [http://www.ebi.ac.uk/pdbsum/2y71 PDBsum]</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=2y71 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y71 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2y71 RCSB], [http://www.ebi.ac.uk/pdbsum/2y71 PDBsum]</span></td></tr>
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<table>
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</table>
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== 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]
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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A Prodrug Approach for Improving Antituberculosis Activity of Potent Mycobacterium tuberculosis Type II Dehydroquinase Inhibitors.,Tizon L, Otero JM, Prazeres VF, Llamas-Saiz AL, Fox GC, van Raaij MJ, Lamb H, Hawkins AR, Ainsa JA, Castedo L, Gonzalez-Bello C J Med Chem. 2011 Aug 3. PMID:21780742<ref>PMID:21780742</ref>
A Prodrug Approach for Improving Antituberculosis Activity of Potent Mycobacterium tuberculosis Type II Dehydroquinase Inhibitors.,Tizon L, Otero JM, Prazeres VF, Llamas-Saiz AL, Fox GC, van Raaij MJ, Lamb H, Hawkins AR, Ainsa JA, Castedo L, Gonzalez-Bello C J Med Chem. 2011 Aug 3. PMID:21780742<ref>PMID:21780742</ref>
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
</div>
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==See Also==
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*[[Dehydroquinase|Dehydroquinase]]
== References ==
== References ==
<references/>
<references/>
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[[Category: 3-dehydroquinate dehydratase]]
[[Category: 3-dehydroquinate dehydratase]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Mycobacterium tuberculosis]]
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[[Category: Ainsa, J A.]]
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[[Category: Ainsa, J A]]
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[[Category: Castedo, L.]]
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[[Category: Castedo, L]]
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[[Category: Fox, G C.]]
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[[Category: Fox, G C]]
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[[Category: Gonzalez-Bello, C.]]
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[[Category: Gonzalez-Bello, C]]
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[[Category: Hawkins, A R.]]
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[[Category: Hawkins, A R]]
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[[Category: Lamb, H.]]
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[[Category: Lamb, H]]
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[[Category: Llamas-Saiz, A L.]]
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[[Category: Llamas-Saiz, A L]]
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[[Category: Otero, J M.]]
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[[Category: Otero, J M]]
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[[Category: Prazeres, V F.V.]]
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[[Category: Prazeres, V F.V]]
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[[Category: Raaij, M J.Van.]]
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[[Category: Raaij, M J.Van]]
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[[Category: Tizon, L.]]
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[[Category: Tizon, L]]
[[Category: Amino acid biosynthesis]]
[[Category: Amino acid biosynthesis]]
[[Category: Lyase]]
[[Category: Lyase]]

Revision as of 21:31, 24 December 2014

STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS TYPE II DEHYDROQUINASE COMPLEXED WITH (1R,4S,5R)-1,4,5-TRIHYDROXY-3-((5-METHYLBENZO(B)THIOPHEN-2-YL)METHOXY)CYCLOHEX-2-ENECARBOXYLATE

2y71, resolution 1.50Å

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