2y68

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[[Image:2y68.png|left|200px]]
 
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==Structure-based design of a new series of D-glutamic acid-based inhibitors of bacterial MurD ligase==
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The line below this paragraph, containing "STRUCTURE_2y68", creates the "Structure Box" on the page.
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<StructureSection load='2y68' size='340' side='right'caption='[[2y68]], [[Resolution|resolution]] 1.49&Aring;' scene=''>
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[2y68]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y68 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2Y68 FirstGlance]. <br>
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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='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AZI:AZIDE+ION'>AZI</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <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=T04:2-[[2-FLUORO-5-[[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]AMINO]METHYL]PHENYL]CARBONYLAMINO]PENTANEDIOIC+ACID'>T04</scene></td></tr>
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{{STRUCTURE_2y68| PDB=2y68 | SCENE= }}
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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=2y68 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y68 OCA], [https://pdbe.org/2y68 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2y68 RCSB], [https://www.ebi.ac.uk/pdbsum/2y68 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2y68 ProSAT]</span></td></tr>
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</table>
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== Function ==
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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 ligase is one of the key enzymes participating in the intracellular steps of peptidoglycan biosynthesis and constitutes a viable target in the search for novel antibacterial drugs to combat bacterial drug-resistance. We have designed, synthesized, and evaluated a new series of d-glutamic acid-based Escherichia coli MurD inhibitors incorporating the 5-benzylidenethiazolidin-4-one scaffold. The crystal structure of 16 in the MurD active site has provided a good starting point for the design of structurally optimized inhibitors 73-75 endowed with improved MurD inhibitory potency (IC(50) between 3 and 7 muM). Inhibitors 74 and 75 showed weak activity against Gram-positive Staphylococcus aureus and Enterococcus faecalis. Compounds 73-75, with IC(50) values in the low micromolar range, represent the most potent d-Glu-based MurD inhibitors reported to date.
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===STRUCTURE-BASED DESIGN OF A NEW SERIES OF D-GLUTAMIC ACID-BASED INHIBITORS OF BACTERIAL MURD LIGASE===
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Structure-Based Design of a New Series of d-Glutamic Acid Based Inhibitors of Bacterial UDP-N-acetylmuramoyl-l-alanine:d-glutamate Ligase (MurD).,Tomasic T, Zidar N, Sink R, Kovac A, Blanot D, Contreras-Martel C, Dessen A, Muller-Premru M, Zega A, Gobec S, Kikelj D, Peterlin Masic L J Med Chem. 2011 Jun 3. PMID:21591605<ref>PMID:21591605</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 2y68" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_21591605}}, adds the Publication Abstract to the page
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*[[Mur ligase|Mur ligase]]
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(as it appears on PubMed at http://www.pubmed.gov), where 21591605 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_21591605}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Escherichia coli K-12]]
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[[2y68]] 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=2Y68 OCA].
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[[Category: Large Structures]]
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[[Category: Blanot D]]
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==Reference==
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[[Category: Contreras-Martel C]]
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<ref group="xtra">PMID:021591605</ref><references group="xtra"/>
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[[Category: Dessen A]]
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[[Category: Escherichia coli]]
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[[Category: Gobec S]]
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[[Category: UDP-N-acetylmuramoyl-L-alanine--D-glutamate ligase]]
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[[Category: Kikelj D]]
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[[Category: Blanot, D.]]
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[[Category: Kovac A]]
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[[Category: Contreras-Martel, C.]]
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[[Category: Muller-Premru M]]
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[[Category: Dessen, A.]]
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[[Category: Patin D]]
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[[Category: Gobec, S.]]
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[[Category: Peterlin-Masic L]]
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[[Category: Kikelj, D.]]
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[[Category: Sink R]]
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[[Category: Kovac, A.]]
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[[Category: Tomasic T]]
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[[Category: Muller-Premru, M.]]
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[[Category: Zega A]]
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[[Category: Patin, D.]]
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[[Category: Zidar N]]
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[[Category: Peterlin-Masic, L.]]
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[[Category: Sink, R.]]
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[[Category: Tomasic, T.]]
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[[Category: Zega, A.]]
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[[Category: Zidar, N.]]
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[[Category: Atp-binding]]
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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]]
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[[Category: Cell wall biogenesis/degradation]]
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[[Category: Ligase]]
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[[Category: Nucleotide-binding]]
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[[Category: Peptidoglycan synthesis]]
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[[Category: Uma]]
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Current revision

Structure-based design of a new series of D-glutamic acid-based inhibitors of bacterial MurD ligase

PDB ID 2y68

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