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[[Image:2vte.png|left|200px]]
==Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor==
<StructureSection load='2vte' size='340' side='right' caption='[[2vte]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2vte]] 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=2VTE OCA]. <br>
</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=IK4:N-({7-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC+ACID'>IK4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
<tr><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><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2uuo|2uuo]], [[2jfg|2jfg]], [[4uag|4uag]], [[1uag|1uag]], [[2jfh|2jfh]], [[2uag|2uag]], [[3uag|3uag]], [[2uup|2uup]], [[1e0d|1e0d]], [[1eeh|1eeh]], [[2jff|2jff]], [[2vtd|2vtd]]</td></tr>
<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span></td></tr>
<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2vte FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vte OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vte RCSB], [http://www.ebi.ac.uk/pdbsum/2vte PDBsum]</span></td></tr>
<table>
== 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/vt/2vte_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 ==
Mur ligases have essential roles in the biosynthesis of peptidoglycan, and they represent attractive targets for the design of novel antibacterials. MurD (UDP- N-acetylmuramoyl- l-alanine: d-glutamate ligase) is the second enzyme in the series of Mur ligases, and it catalyzes the addition of d-glutamic acid ( d-Glu) to the cytoplasmic intermediate UDP- N-acetylmuramoyl- l-alanine (UMA). Because of the high binding affinity of d-Glu toward MurD, we synthesized and biochemically evaluated a series of N-substituted d-Glu derivatives as potential inhibitors of MurD from E. coli, which allowed us to explore the structure-activity relationships. The substituted naphthalene- N-sulfonyl- d-Glu inhibitors, which were synthesized as potential transition-state analogues, displayed IC 50 values ranging from 80 to 600 muM. In addition, the high-resolution crystal structures of MurD in complex with four novel inhibitors revealed details of the binding mode of the inhibitors within the active site of MurD. Structure-activity relationships and cocrystal structures constitute an excellent starting point for further development of novel MurD inhibitors of this structural class.


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Novel Naphthalene-N-sulfonyl-d-glutamic Acid Derivatives as Inhibitors of MurD, a Key Peptidoglycan Biosynthesis Enzyme.,Humljan J, Kotnik M, Contreras-Martel C, Blanot D, Urleb U, Dessen A, Solmajer T, Gobec S J Med Chem. 2008 Nov 13. PMID:19007109<ref>PMID:19007109</ref>
The line below this paragraph, containing "STRUCTURE_2vte", creates the "Structure Box" on the page.
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{{STRUCTURE_2vte|  PDB=2vte  |  SCENE=  }}


===Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor===
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
 
</div>
 
== References ==
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<references/>
The line below this paragraph, {{ABSTRACT_PUBMED_19007109}}, adds the Publication Abstract to the page
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(as it appears on PubMed at http://www.pubmed.gov), where 19007109 is the PubMed ID number.
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{{ABSTRACT_PUBMED_19007109}}
 
==About this Structure==
[[2vte]] 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=2VTE OCA].
 
==Reference==
<ref group="xtra">PMID:019007109</ref><references group="xtra"/>
[[Category: Escherichia coli]]
[[Category: Escherichia coli]]
[[Category: UDP-N-acetylmuramoyl-L-alanine--D-glutamate ligase]]
[[Category: UDP-N-acetylmuramoyl-L-alanine--D-glutamate ligase]]
Retrieved from "https://proteopedia.org/2vte"