4civ

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==Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid==
==Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid==
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<StructureSection load='4civ' size='340' side='right' caption='[[4civ]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
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<StructureSection load='4civ' size='340' side='right'caption='[[4civ]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4civ]] 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=4CIV OCA]. <br>
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<table><tr><td colspan='2'>[[4civ]] 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=4CIV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4CIV FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=48P:(1R,4R,5R)-1,4,5-TRIHYDROXY-3-HYDROXYMETHYLCYCLOHEX-2-ENE-1-CARBOXYLIC+ACID'>48P</scene><br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.9&#8491;</td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4ciw|4ciw]], [[4cix|4cix]], [[4ciy|4ciy]]</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=48P:(1R,4R,5R)-1,4,5-TRIHYDROXY-3-HYDROXYMETHYLCYCLOHEX-2-ENE-1-CARBOXYLIC+ACID'>48P</scene></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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4civ FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4civ OCA], [https://pdbe.org/4civ PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4civ RCSB], [https://www.ebi.ac.uk/pdbsum/4civ PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4civ ProSAT]</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=4civ FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4civ OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4civ RCSB], [http://www.ebi.ac.uk/pdbsum/4civ PDBsum]</span></td></tr>
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</table>
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<table>
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== Function ==
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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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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>
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<div class="pdbe-citations 4civ" 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: Blanco, B.]]
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[[Category: Mycobacterium tuberculosis]]
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[[Category: Gonzalez-Bello, C.]]
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[[Category: Blanco B]]
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[[Category: Hawkins, A R.]]
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[[Category: Gonzalez-Bello C]]
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[[Category: Lamb, H.]]
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[[Category: Hawkins AR]]
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[[Category: Llamas-Saiz, A L.]]
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[[Category: Lamb H]]
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[[Category: Otero, J M.]]
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[[Category: Llamas-Saiz AL]]
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[[Category: Peon, A.]]
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[[Category: Otero JM]]
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[[Category: Raaij, M J.van.]]
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[[Category: Peon A]]
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[[Category: Sedes, A.]]
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[[Category: Sedes A]]
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[[Category: Bacterial protein]]
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[[Category: Van Raaij MJ]]
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[[Category: Inhibitor]]
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[[Category: Lyase]]
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[[Category: Protein binding]]
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[[Category: Shikimis acid pathway]]
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[[Category: Substrate specificity]]
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Current revision

Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid

PDB ID 4civ

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