2wjp
From Proteopedia
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| - | + | ==CRYSTAL STRUCTURE OF MURD LIGASE IN COMPLEX WITH D-GLU CONTAINING RHODANINE INHIBITOR== | |
| - | + | <StructureSection load='2wjp' size='340' side='right' caption='[[2wjp]], [[Resolution|resolution]] 1.60Å' scene=''> | |
| - | {{ | + | == Structural highlights == |
| - | + | <table><tr><td colspan='2'>[[2wjp]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_coli"_migula_1895 "bacillus coli" migula 1895]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WJP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WJP FirstGlance]. <br> | |
| - | ==Function== | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AZI:AZIDE+ION'>AZI</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=D17:N-({3-[({4-[(Z)-(4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL}AMINO)METHYL]PHENYL}CARBONYL)-L-GLUTAMIC+ACID'>D17</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> |
| + | <tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=KCX:LYSINE+NZ-CARBOXYLIC+ACID'>KCX</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2vtd|2vtd]], [[2uuo|2uuo]], [[2jfg|2jfg]], [[1uag|1uag]], [[4uag|4uag]], [[2uag|2uag]], [[2jfh|2jfh]], [[3uag|3uag]], [[2uup|2uup]], [[1e0d|1e0d]], [[2vte|2vte]], [[2jff|2jff]], [[1eeh|1eeh]]</td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/UDP-N-acetylmuramoyl-L-alanine--D-glutamate_ligase UDP-N-acetylmuramoyl-L-alanine--D-glutamate ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.2.9 6.3.2.9] </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=2wjp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wjp OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wjp RCSB], [http://www.ebi.ac.uk/pdbsum/2wjp PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
[[http://www.uniprot.org/uniprot/MURD_ECOLI MURD_ECOLI]] Cell wall formation. Catalyzes the addition of glutamate to the nucleotide precursor UDP-N-acetylmuramoyl-L-alanine (UMA).[HAMAP-Rule:MF_00639] | [[http://www.uniprot.org/uniprot/MURD_ECOLI MURD_ECOLI]] Cell wall formation. Catalyzes the addition of glutamate to the nucleotide precursor UDP-N-acetylmuramoyl-L-alanine (UMA).[HAMAP-Rule:MF_00639] | ||
| + | == Evolutionary Conservation == | ||
| + | [[Image:Consurf_key_small.gif|200px|right]] | ||
| + | Check<jmol> | ||
| + | <jmolCheckbox> | ||
| + | <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/wj/2wjp_consurf.spt"</scriptWhenChecked> | ||
| + | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
| + | <text>to colour the structure by Evolutionary Conservation</text> | ||
| + | </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]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | We have designed, synthesized, and evaluated 5-benzylidenerhodanine- and 5-benzylidenethiazolidine-2,4-dione-based compounds as inhibitors of bacterial enzyme MurD with E. coli IC(50) in the range 45-206 muM. The high-resolution crystal structure of MurD in complex with (R,Z)-2-(3-[{4-([2,4-dioxothiazolidin-5-ylidene]methyl)phenylamino}methyl) benzamido)pentanedioic acid [(R)-32] revealed details of the binding mode of the inhibitor within the active site and provides a good foundation for structure-based design of a novel generation of MurD inhibitors. | ||
| - | + | Discovery of Novel 5-Benzylidenerhodanine and 5-Benzylidenethiazolidine-2,4-dione Inhibitors of MurD Ligase.,Zidar N, Tomasic T, Sink R, Rupnik V, Kovac A, Turk S, Patin D, Blanot D, Contreras Martel C, Dessen A, Muller Premru M, Zega A, Gobec S, Peterlin Masic L, Kikelj D J Med Chem. 2010 Aug 30. PMID:20804196<ref>PMID:20804196</ref> | |
| - | + | ||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
==See Also== | ==See Also== | ||
*[[MurD ligase|MurD ligase]] | *[[MurD ligase|MurD ligase]] | ||
| - | + | == References == | |
| - | == | + | <references/> |
| - | + | __TOC__ | |
| + | </StructureSection> | ||
[[Category: Bacillus coli migula 1895]] | [[Category: Bacillus coli migula 1895]] | ||
[[Category: UDP-N-acetylmuramoyl-L-alanine--D-glutamate ligase]] | [[Category: UDP-N-acetylmuramoyl-L-alanine--D-glutamate ligase]] | ||
| - | [[Category: Blanot, D | + | [[Category: Blanot, D]] |
| - | [[Category: Contreras-Martel, C | + | [[Category: Contreras-Martel, C]] |
| - | [[Category: Dessen, A | + | [[Category: Dessen, A]] |
| - | [[Category: Gobec, S | + | [[Category: Gobec, S]] |
| - | [[Category: Kikelj, D | + | [[Category: Kikelj, D]] |
| - | [[Category: Kovac, A | + | [[Category: Kovac, A]] |
| - | [[Category: Muller-Premru, M | + | [[Category: Muller-Premru, M]] |
| - | [[Category: Peterlin-Masic, L | + | [[Category: Peterlin-Masic, L]] |
| - | [[Category: Rupnik, V | + | [[Category: Rupnik, V]] |
| - | [[Category: Sink, R | + | [[Category: Sink, R]] |
| - | [[Category: Tomasic, T | + | [[Category: Tomasic, T]] |
| - | [[Category: Turk, S | + | [[Category: Turk, S]] |
| - | [[Category: Zega, A | + | [[Category: Zega, A]] |
| - | [[Category: Zidar, N | + | [[Category: Zidar, N]] |
[[Category: Cell cycle]] | [[Category: Cell cycle]] | ||
[[Category: Cell division]] | [[Category: Cell division]] | ||
Revision as of 09:26, 25 December 2014
CRYSTAL STRUCTURE OF MURD LIGASE IN COMPLEX WITH D-GLU CONTAINING RHODANINE INHIBITOR
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Categories: Bacillus coli migula 1895 | UDP-N-acetylmuramoyl-L-alanine--D-glutamate ligase | Blanot, D | Contreras-Martel, C | Dessen, A | Gobec, S | Kikelj, D | Kovac, A | Muller-Premru, M | Peterlin-Masic, L | Rupnik, V | Sink, R | Tomasic, T | Turk, S | Zega, A | Zidar, N | Cell cycle | Cell division | Cell shape synthesis | Cell wall biogenesis/degradation | Ligase | Peptidoglycan synthesis
