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3ioc

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==Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.50 Ang resolution in complex with 5'-deoxy-5'-(benzyldisulfanyl)-adenosine==
==Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.50 Ang resolution in complex with 5'-deoxy-5'-(benzyldisulfanyl)-adenosine==
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<StructureSection load='3ioc' size='340' side='right' caption='[[3ioc]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
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<StructureSection load='3ioc' size='340' side='right'caption='[[3ioc]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3ioc]] is a 2 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=3IOC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3IOC FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3ioc]] 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=3IOC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3IOC 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=A5D:(2R,3R,4S,5S)-2-(6-AMINO-9H-PURIN-9-YL)-5-[(BENZYLDISULFANYL)METHYL]TETRAHYDROFURAN-3,4-DIOL'>A5D</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 2.5&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3cov|3cov]], [[3cow|3cow]], [[3coy|3coy]], [[3coz|3coz]], [[1n2h|1n2h]], [[3iob|3iob]], [[3iod|3iod]], [[3ioe|3ioe]]</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=A5D:(2R,3R,4S,5S)-2-(6-AMINO-9H-PURIN-9-YL)-5-[(BENZYLDISULFANYL)METHYL]TETRAHYDROFURAN-3,4-DIOL'>A5D</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">MT3707, MTCY07H7B.20, panC, Rv3602c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</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=3ioc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ioc OCA], [https://pdbe.org/3ioc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3ioc RCSB], [https://www.ebi.ac.uk/pdbsum/3ioc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3ioc ProSAT]</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/Pantoate--beta-alanine_ligase Pantoate--beta-alanine ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.2.1 6.3.2.1] </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=3ioc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ioc OCA], [http://pdbe.org/3ioc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3ioc RCSB], [http://www.ebi.ac.uk/pdbsum/3ioc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3ioc ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/PANC_MYCTU PANC_MYCTU]] Catalyzes the condensation of pantoate with beta-alanine in an ATP-dependent reaction via a pantoyl-adenylate intermediate.<ref>PMID:11669627</ref>
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[https://www.uniprot.org/uniprot/PANC_MYCTU PANC_MYCTU] Catalyzes the condensation of pantoate with beta-alanine in an ATP-dependent reaction via a pantoyl-adenylate intermediate.<ref>PMID:11669627</ref>
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
Check<jmol>
<jmolCheckbox>
<jmolCheckbox>
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<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/io/3ioc_consurf.spt"</scriptWhenChecked>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/io/3ioc_consurf.spt"</scriptWhenChecked>
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
<text>to colour the structure by Evolutionary Conservation</text>
<text>to colour the structure by Evolutionary Conservation</text>
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</div>
</div>
<div class="pdbe-citations 3ioc" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 3ioc" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Pantothenate synthetase|Pantothenate synthetase]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Pantoate--beta-alanine ligase]]
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[[Category: Large Structures]]
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[[Category: Abell, C]]
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[[Category: Ciulli, A]]
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[[Category: Scott, D E]]
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[[Category: Atp-binding]]
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[[Category: Drug design]]
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[[Category: Dynamic combinatorial chemistry]]
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[[Category: Enzyme]]
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[[Category: Fragment-based]]
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[[Category: Inhibitor]]
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[[Category: Ligase]]
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[[Category: Magnesium]]
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[[Category: Metal-binding]]
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[[Category: Mycobacterium tuberculosis]]
[[Category: Mycobacterium tuberculosis]]
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[[Category: Nucleotide-binding]]
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[[Category: Abell C]]
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[[Category: Pantothenate biosynthesis]]
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[[Category: Ciulli A]]
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[[Category: Scott DE]]

Current revision

Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.50 Ang resolution in complex with 5'-deoxy-5'-(benzyldisulfanyl)-adenosine

PDB ID 3ioc

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