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4v0s

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==Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative==
==Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative==
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<StructureSection load='4v0s' size='340' side='right' caption='[[4v0s]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
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<StructureSection load='4v0s' size='340' side='right'caption='[[4v0s]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4v0s]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4V0S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4V0S FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4v0s]] is a 2 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=4V0S OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4V0S 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=2HN:(1R,2S,4S,5R)-2-(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL-1,4,5-TRIHYDROXY-3-OXOCYCLOHEXANE-1-CARBOXYLIC+ACID'>2HN</scene>, <scene name='pdbligand=7HN:3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC+ACID'>7HN</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
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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]] 1.55&#8491;</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='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2HN:(1R,2S,4S,5R)-2-(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL-1,4,5-TRIHYDROXY-3-OXOCYCLOHEXANE-1-CARBOXYLIC+ACID'>2HN</scene>, <scene name='pdbligand=7HN:3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC+ACID'>7HN</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></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=4v0s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4v0s OCA], [http://pdbe.org/4v0s PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4v0s RCSB], [http://www.ebi.ac.uk/pdbsum/4v0s PDBsum]</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=4v0s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4v0s OCA], [https://pdbe.org/4v0s PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4v0s RCSB], [https://www.ebi.ac.uk/pdbsum/4v0s PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4v0s ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/AROQ_MYCTO AROQ_MYCTO]] Catalyzes a trans-dehydration via an enolate intermediate.
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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]
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==See Also==
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*[[Dehydroquinase 3D structures|Dehydroquinase 3D structures]]
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: 3-dehydroquinate dehydratase]]
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[[Category: Large Structures]]
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[[Category: Gonzalez-Bello, C]]
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[[Category: Mycobacterium tuberculosis]]
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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: Maneiro, M]]
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[[Category: Llamas-Saiz AL]]
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[[Category: Otero, J M]]
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[[Category: Maneiro M]]
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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: Santiago, C]]
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[[Category: Santiago C]]
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[[Category: Binding site]]
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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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[[Category: Type 2 dehydroquinase]]
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Current revision

Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative

PDB ID 4v0s

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