2y1o: Difference between revisions

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[[Image:2y1o.jpg|left|200px]]


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==Dual-target Inhibitor of MurD and MurE Ligases: Design, Synthesis and Binding Mode Studies==
The line below this paragraph, containing "STRUCTURE_2y1o", creates the "Structure Box" on the page.
<StructureSection load='2y1o' size='340' side='right'caption='[[2y1o]], [[Resolution|resolution]] 1.49&Aring;' scene=''>
You may change the PDB parameter (which sets the PDB file loaded into the applet)  
== Structural highlights ==
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
<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>
or leave the SCENE parameter empty for the default display.
</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>
-->
<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>
{{STRUCTURE_2y1o|  PDB=2y1o  |  SCENE= }}
<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>
</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.


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


From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 2y1o" style="background-color:#fffaf0;"></div>


==About this Structure==
==See Also==
[[2y1o]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y1O OCA].
*[[Mur ligase|Mur ligase]]
[[Category: Escherichia coli]]
== References ==
[[Category: UDP-N-acetylmuramoyl-L-alanine--D-glutamate ligase]]
<references/>
[[Category: Blanot, D.]]
__TOC__
[[Category: Contreras-Martel, C.]]
</StructureSection>
[[Category: Dessen, A.]]
[[Category: Large Structures]]
[[Category: Gobec, S.]]
[[Category: Blanot D]]
[[Category: Kikelj, D.]]
[[Category: Contreras-Martel C]]
[[Category: Kovac, A.]]
[[Category: Dessen A]]
[[Category: Peterlin-Masic, L.]]
[[Category: Gobec S]]
[[Category: Sink, R.]]
[[Category: Kikelj D]]
[[Category: Tomasic, T.]]
[[Category: Kovac A]]
[[Category: Turk, S.]]
[[Category: Peterlin-Masic L]]
[[Category: Zega, A.]]
[[Category: Sink R]]
[[Category: Cell cycle]]
[[Category: Tomasic T]]
[[Category: Cell division]]
[[Category: Turk S]]
[[Category: Cell shape]]
[[Category: Zega A]]
[[Category: Cell wall biogenesis/degradation]]
[[Category: Ligase]]

Latest revision as of 08:07, 23 August 2023

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

2y1o, resolution 1.49Å

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