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2y1o
From Proteopedia
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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== | ||
| - | <StructureSection load='2y1o' size='340' side='right' caption='[[2y1o]], [[Resolution|resolution]] 1.49Å' scene=''> | + | <StructureSection load='2y1o' size='340' side='right'caption='[[2y1o]], [[Resolution|resolution]] 1.49Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[2y1o]] is a 1 chain structure with sequence from [ | + | <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> |
| - | </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><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.49Å</td></tr> |
| - | + | <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> | |
| - | + | <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> | |
| - | + | ||
| - | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | + | |
</table> | </table> | ||
| + | == Function == | ||
| + | [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] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | 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®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 2y1o" style="background-color:#fffaf0;"></div> | ||
==See Also== | ==See Also== | ||
| - | *[[ | + | *[[Mur ligase|Mur ligase]] |
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| - | [[Category: | + | [[Category: Large Structures]] |
| - | [[Category: Blanot | + | [[Category: Blanot D]] |
| - | [[Category: Contreras-Martel | + | [[Category: Contreras-Martel C]] |
| - | [[Category: Dessen | + | [[Category: Dessen A]] |
| - | [[Category: Gobec | + | [[Category: Gobec S]] |
| - | [[Category: Kikelj | + | [[Category: Kikelj D]] |
| - | [[Category: Kovac | + | [[Category: Kovac A]] |
| - | [[Category: Peterlin-Masic | + | [[Category: Peterlin-Masic L]] |
| - | [[Category: Sink | + | [[Category: Sink R]] |
| - | [[Category: Tomasic | + | [[Category: Tomasic T]] |
| - | [[Category: Turk | + | [[Category: Turk S]] |
| - | [[Category: Zega | + | [[Category: Zega A]] |
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Current revision
Dual-target Inhibitor of MurD and MurE Ligases: Design, Synthesis and Binding Mode Studies
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Categories: Large Structures | Blanot D | Contreras-Martel C | Dessen A | Gobec S | Kikelj D | Kovac A | Peterlin-Masic L | Sink R | Tomasic T | Turk S | Zega A
