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4cix

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<StructureSection load='4cix' size='340' side='right' caption='[[4cix]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
<StructureSection load='4cix' size='340' side='right' caption='[[4cix]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4cix]] 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=4CIX OCA]. <br>
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<table><tr><td colspan='2'>[[4cix]] 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=4CIX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4CIX FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=W4N:(1R,4R,5R)-1,4,5-TRIHYDROXY-3-[(1S)-1-HYDROXY-2-PHENYL]ETHYLCYCLOHEX-2-ENE-1-CARBOXYLIC+ACID'>W4N</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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=W4N:(1R,4R,5R)-1,4,5-TRIHYDROXY-3-[(1S)-1-HYDROXY-2-PHENYL]ETHYLCYCLOHEX-2-ENE-1-CARBOXYLIC+ACID'>W4N</scene></td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4civ|4civ]], [[4ciw|4ciw]], [[4ciy|4ciy]]</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4civ|4civ]], [[4ciw|4ciw]], [[4ciy|4ciy]]</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=4cix FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4cix OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4cix RCSB], [http://www.ebi.ac.uk/pdbsum/4cix 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=4cix FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4cix OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4cix RCSB], [http://www.ebi.ac.uk/pdbsum/4cix 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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Exploring the Water-Binding Pocket of the Type II Dehydroquinase Enzyme in the Structure-Based Design of Inhibitors.,Blanco B, Sedes A, Peon A, Otero JM, Raaij MJ, Thompson P, Hawkins AR, Gonzalez-Bello C J Med Chem. 2014 Apr 1. PMID:24689821<ref>PMID:24689821</ref>
Exploring the Water-Binding Pocket of the Type II Dehydroquinase Enzyme in the Structure-Based Design of Inhibitors.,Blanco B, Sedes A, Peon A, Otero JM, Raaij MJ, Thompson P, Hawkins AR, Gonzalez-Bello C J Med Chem. 2014 Apr 1. PMID:24689821<ref>PMID:24689821</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>
== References ==
== References ==
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</StructureSection>
</StructureSection>
[[Category: 3-dehydroquinate dehydratase]]
[[Category: 3-dehydroquinate dehydratase]]
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[[Category: Blanco, B.]]
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[[Category: Blanco, B]]
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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: Peon, A.]]
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[[Category: Peon, A]]
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[[Category: Raaij, M J.van.]]
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[[Category: Raaij, M J.van]]
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[[Category: Sedes, A.]]
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[[Category: Sedes, A]]
[[Category: Bacterial protein]]
[[Category: Bacterial protein]]
[[Category: Inhibitor]]
[[Category: Inhibitor]]

Revision as of 21:38, 25 December 2014

Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with(1R,4R,5R)-1,4,5-trihydroxy-3-((1S)-1-hydroxy-2-phenyl) ethylcyclohex-2-en-1-carboxylic acid

4cix, resolution 2.90Å

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