2y77
From Proteopedia
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| - | == | + | |
| - | <StructureSection load='2y77' size='340' side='right' caption='[[2y77]], [[Resolution|resolution]] 1.50Å' scene=''> | + | ==Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-2-ylmethoxy)-1,4,5- trihydroxy-2-(thiophen-2-ylmethyl)cyclohex-2-enecarboxylate== |
| + | <StructureSection load='2y77' size='340' side='right'caption='[[2y77]], [[Resolution|resolution]] 1.50Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[2y77]] is a 1 chain structure with sequence from [ | + | <table><tr><td colspan='2'>[[2y77]] 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=2Y77 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2Y77 FirstGlance]. <br> |
| - | </td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CB8:(1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE'>CB8</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.5Å</td></tr> |
| - | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CB8:(1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE'>CB8</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | |
| - | <tr | + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2y77 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y77 OCA], [https://pdbe.org/2y77 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2y77 RCSB], [https://www.ebi.ac.uk/pdbsum/2y77 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2y77 ProSAT]</span></td></tr> |
| - | + | </table> | |
| - | <table> | + | == Function == |
| + | [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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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> | ||
| - | From | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> |
</div> | </div> | ||
| + | <div class="pdbe-citations 2y77" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Dehydroquinase 3D structures|Dehydroquinase 3D structures]] | ||
== References == | == References == | ||
<references/> | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| - | [[Category: | + | [[Category: Large Structures]] |
[[Category: Mycobacterium tuberculosis]] | [[Category: Mycobacterium tuberculosis]] | ||
| - | [[Category: Ainsa | + | [[Category: Ainsa JA]] |
| - | [[Category: Castedo | + | [[Category: Castedo L]] |
| - | [[Category: Fox | + | [[Category: Fox GC]] |
| - | [[Category: Gonzalez-Bello | + | [[Category: Gonzalez-Bello C]] |
| - | [[Category: Hawkins | + | [[Category: Hawkins AR]] |
| - | [[Category: Lamb | + | [[Category: Lamb H]] |
| - | [[Category: Llamas-Saiz | + | [[Category: Llamas-Saiz AL]] |
| - | [[Category: Otero | + | [[Category: Otero JM]] |
| - | [[Category: Prazeres | + | [[Category: Prazeres VFV]] |
| - | + | [[Category: Tizon L]] | |
| - | [[Category: Tizon | + | [[Category: Van Raaij MJ]] |
| - | [[Category: | + | |
| - | + | ||
Current revision
Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-2-ylmethoxy)-1,4,5- trihydroxy-2-(thiophen-2-ylmethyl)cyclohex-2-enecarboxylate
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