2y1o

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==Dual-target Inhibitor of MurD and MurE Ligases: Design, Synthesis and Binding Mode Studies==
==Dual-target Inhibitor of MurD and MurE Ligases: Design, Synthesis and Binding Mode Studies==
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<StructureSection load='2y1o' size='340' side='right' caption='[[2y1o]], [[Resolution|resolution]] 1.49&Aring;' scene=''>
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<StructureSection load='2y1o' size='340' side='right'caption='[[2y1o]], [[Resolution|resolution]] 1.49&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[2y1o]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli_dh5[alpha] Escherichia coli dh5[alpha]]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y1O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2Y1O FirstGlance]. <br>
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<table><tr><td colspan='2'>[[2y1o]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_DH5alpha Escherichia coli DH5alpha]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y1O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2Y1O 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=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=T26:(2R)-2-[[3-[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]METHYLAMINO]PHENYL]CARBONYLAMINO]PENTANEDIOIC+ACID'>T26</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]] 1.49&#8491;</td></tr>
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<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>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=KCX:LYSINE+NZ-CARBOXYLIC+ACID'>KCX</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=T26:(2R)-2-[[3-[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]METHYLAMINO]PHENYL]CARBONYLAMINO]PENTANEDIOIC+ACID'>T26</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2wjp|2wjp]], [[2vtd|2vtd]], [[2uuo|2uuo]], [[2jfg|2jfg]], [[1uag|1uag]], [[4uag|4uag]], [[2uag|2uag]], [[2jfh|2jfh]], [[3uag|3uag]], [[2uup|2uup]], [[1e0d|1e0d]], [[2vte|2vte]], [[2jff|2jff]], [[2x5o|2x5o]], [[1eeh|1eeh]]</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=2y1o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y1o OCA], [https://pdbe.org/2y1o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2y1o RCSB], [https://www.ebi.ac.uk/pdbsum/2y1o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2y1o 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/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>
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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=2y1o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y1o OCA], [http://pdbe.org/2y1o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2y1o RCSB], [http://www.ebi.ac.uk/pdbsum/2y1o PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2y1o ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[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]
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[https://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]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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MurD and MurE ligases, consecutive enzymes participating in the intracellular steps of bacterial peptidoglycan biosynthesis, are important targets for antibacterial drug discovery. We have designed, synthesized, and evaluated the first d-glutamic acid-containing dual inhibitor of MurD and MurE ligases from Escherichia coli and Staphylococcus aureus (IC50 values between 6.4 and 180 muM) possessing antibacterial activity against Gram-positive S. aureus and its methicillin-resistant strain (MRSA) with minimal inhibitory concentration (MIC) values of 8 mug/mL. The inhibitor was also found to be noncytotoxic for human HepG2 cells at concentrations below 200 muM.
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Dual Inhibitor of MurD and MurE Ligases from Escherichia coli and Staphylococcus aureus.,Tomasic T, Sink R, Zidar N, Fic A, Contreras-Martel C, Dessen A, Patin D, Blanot D, Muller-Premru M, Gobec S, Zega A, Kikelj D, Masic LP ACS Med Chem Lett. 2012 Jun 27;3(8):626-30. doi: 10.1021/ml300047h. eCollection, 2012 Aug 9. PMID:24900523<ref>PMID:24900523</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 2y1o" style="background-color:#fffaf0;"></div>
==See Also==
==See Also==
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*[[MurD ligase|MurD ligase]]
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*[[Mur ligase|Mur ligase]]
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== References ==
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<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: UDP-N-acetylmuramoyl-L-alanine--D-glutamate ligase]]
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[[Category: Large Structures]]
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[[Category: Blanot, D]]
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[[Category: Blanot D]]
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[[Category: Contreras-Martel, C]]
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[[Category: Contreras-Martel C]]
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[[Category: Dessen, A]]
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[[Category: Dessen A]]
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[[Category: Gobec, S]]
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[[Category: Gobec S]]
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[[Category: Kikelj, D]]
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[[Category: Kikelj D]]
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[[Category: Kovac, A]]
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[[Category: Kovac A]]
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[[Category: Peterlin-Masic, L]]
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[[Category: Peterlin-Masic L]]
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[[Category: Sink, R]]
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[[Category: Sink R]]
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[[Category: Tomasic, T]]
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[[Category: Tomasic T]]
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[[Category: Turk, S]]
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[[Category: Turk S]]
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[[Category: Zega, A]]
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[[Category: Zega A]]
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[[Category: Cell cycle]]
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[[Category: Cell division]]
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[[Category: Cell shape]]
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[[Category: Cell wall biogenesis/degradation]]
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[[Category: Ligase]]
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Current revision

Dual-target Inhibitor of MurD and MurE Ligases: Design, Synthesis and Binding Mode Studies

PDB ID 2y1o

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