1p45: Difference between revisions

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==Targeting tuberculosis and malaria through inhibition of enoyl reductase: compound activity and structural data==
==Targeting tuberculosis and malaria through inhibition of enoyl reductase: compound activity and structural data==
<StructureSection load='1p45' size='340' side='right' caption='[[1p45]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
<StructureSection load='1p45' size='340' side='right'caption='[[1p45]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[1p45]] 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=1P45 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1P45 FirstGlance]. <br>
<table><tr><td colspan='2'>[[1p45]] 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=1P45 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1P45 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=TCL:TRICLOSAN'>TCL</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.6&#8491;</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1p44|1p44]]</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=TCL:TRICLOSAN'>TCL</scene></td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">INHA OR RV1484 OR MT1531 OR MTCY277.05 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1p45 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1p45 OCA], [https://pdbe.org/1p45 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1p45 RCSB], [https://www.ebi.ac.uk/pdbsum/1p45 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1p45 ProSAT]</span></td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] </span></td></tr>
<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=1p45 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1p45 OCA], [http://pdbe.org/1p45 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1p45 RCSB], [http://www.ebi.ac.uk/pdbsum/1p45 PDBsum]</span></td></tr>
</table>
</table>
== Function ==
[https://www.uniprot.org/uniprot/INHA_MYCTU INHA_MYCTU]
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
Check<jmol>
   <jmolCheckbox>
   <jmolCheckbox>
     <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/p4/1p45_consurf.spt"</scriptWhenChecked>
     <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/p4/1p45_consurf.spt"</scriptWhenChecked>
     <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
     <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
     <text>to colour the structure by Evolutionary Conservation</text>
     <text>to colour the structure by Evolutionary Conservation</text>
   </jmolCheckbox>
   </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1p45 ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
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==See Also==
==See Also==
*[[Enoyl-Acyl-Carrier Protein Reductase|Enoyl-Acyl-Carrier Protein Reductase]]
*[[Enoyl-Acyl-Carrier Protein Reductase 3D structures|Enoyl-Acyl-Carrier Protein Reductase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Alland, D]]
[[Category: Large Structures]]
[[Category: Fidock, D A]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Gourlie, B B]]
[[Category: Alland D]]
[[Category: Gregory, J S]]
[[Category: Fidock DA]]
[[Category: Iwamoto, H]]
[[Category: Gourlie BB]]
[[Category: Jacobs, W R]]
[[Category: Gregory JS]]
[[Category: Janjigian, A D]]
[[Category: Iwamoto H]]
[[Category: Kreiswirth, B N]]
[[Category: Jacobs Jr WR]]
[[Category: Kuo, M R]]
[[Category: Janjigian AD]]
[[Category: Leonard, M]]
[[Category: Kreiswirth BN]]
[[Category: Morbidoni, H R]]
[[Category: Kuo MR]]
[[Category: Musser, J M]]
[[Category: Leonard M]]
[[Category: Perozzo, R]]
[[Category: Morbidoni HR]]
[[Category: Sacchettini, J C]]
[[Category: Musser JM]]
[[Category: Sneddon, S F]]
[[Category: Perozzo R]]
[[Category: Staveski, M M]]
[[Category: Sacchettini JC]]
[[Category: Structural genomic]]
[[Category: Sneddon SF]]
[[Category: Yee, C]]
[[Category: Staveski MM]]
[[Category: Enoyl-acp reductase]]
[[Category: Yee C]]
[[Category: Inha]]
[[Category: Oxidoreductase]]
[[Category: PSI, Protein structure initiative]]
[[Category: Rossmann fold]]
[[Category: Short chain dehydrogenase reductase]]
[[Category: Tbsgc]]
[[Category: Triclosan]]