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2jfh

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Revision as of 06:39, 31 January 2018

Crystal structure of MurD ligase in complex with L-Glu containing sulfonamide inhibitor

Structural highlights

2jfh is a 1 chain structure with sequence from "bacillus_coli"_migula_1895 "bacillus coli" migula 1895. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:	,
NonStd Res:
Related:	1e0d, 1eeh, 1uag, 2uag, 3uag, 4uag, 2jff, 2jfg
Activity:	UDP-N-acetylmuramoyl-L-alanine--D-glutamate ligase, with EC number 6.3.2.9
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

Mur ligases play an essential role in the intracellular biosynthesis of bacterial peptidoglycan, the main component of the bacterial cell wall, and represent attractive targets for the design of novel antibacterials. UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase (MurD) catalyses the addition of D-glutamic acid to the cytoplasmic intermediate UDP-N-acetylmuramoyl-L-alanine (UMA) and is the second in the series of Mur ligases. MurD ligase is highly stereospecific for its substrate, D-glutamic acid (D-Glu). Here, we report the high resolution crystal structures of MurD in complexes with two novel inhibitors designed to mimic the transition state of the reaction, which contain either the D-Glu or the L-Glu moiety. The binding modes of N-sulfonyl-D-Glu and N-sulfonyl-L-Glu derivatives were also characterised kinetically. The results of this study represent an excellent starting point for further development of novel inhibitors of this enzyme.

Structural and functional characterization of enantiomeric glutamic acid derivatives as potential transition state analogue inhibitors of MurD ligase.,Kotnik M, Humljan J, Contreras-Martel C, Oblak M, Kristan K, Herve M, Blanot D, Urleb U, Gobec S, Dessen A, Solmajer T J Mol Biol. 2007 Jun 29;370(1):107-15. Epub 2007 May 4. PMID:17507028^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Kotnik M, Humljan J, Contreras-Martel C, Oblak M, Kristan K, Herve M, Blanot D, Urleb U, Gobec S, Dessen A, Solmajer T. Structural and functional characterization of enantiomeric glutamic acid derivatives as potential transition state analogue inhibitors of MurD ligase. J Mol Biol. 2007 Jun 29;370(1):107-15. Epub 2007 May 4. PMID:17507028 doi:http://dx.doi.org/10.1016/j.jmb.2007.04.048

1 Structural highlights
2 Evolutionary Conservation
3 Publication Abstract from PubMed
4 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/2jfh"

@@ Line 1: / Line 1: @@
-==CRYSTAL STRUCTURE OF MURD LIGASE IN COMPLEX WITH L-GLU CONTAINING SULFONAMIDE INHIBITOR==
+==Crystal structure of MurD ligase in complex with L-Glu containing sulfonamide inhibitor==
 <StructureSection load='2jfh' size='340' side='right' caption='[[2jfh]], [[Resolution|resolution]] 1.97&Aring;' scene=''>
 == Structural highlights ==
@@ Line 7: / Line 8: @@
 <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1e0d|1e0d]], [[1eeh|1eeh]], [[1uag|1uag]], [[2uag|2uag]], [[3uag|3uag]], [[4uag|4uag]], [[2jff|2jff]], [[2jfg|2jfg]]</td></tr>
 <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>
-<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=2jfh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2jfh OCA], [http://pdbe.org/2jfh PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2jfh RCSB], [http://www.ebi.ac.uk/pdbsum/2jfh PDBsum]</span></td></tr>
+<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=2jfh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2jfh OCA], [http://pdbe.org/2jfh PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2jfh RCSB], [http://www.ebi.ac.uk/pdbsum/2jfh PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2jfh ProSAT]</span></td></tr>
 </table>
 == Evolutionary Conservation ==
@@ Line 13: / Line 14: @@
 Check<jmol>
   <jmolCheckbox>
-    <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/jf/2jfh_consurf.spt"</scriptWhenChecked>
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/jf/2jfh_consurf.spt"</scriptWhenChecked>
     <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
     <text>to colour the structure by Evolutionary Conservation</text>
@@ Line 28: / Line 29: @@
 </div>
 <div class="pdbe-citations 2jfh" style="background-color:#fffaf0;"></div>
-==See Also==
-*[[MurD ligase|MurD ligase]]
 == References ==
 <references/>

2jfh

From Proteopedia

Revision as of 06:39, 31 January 2018

Crystal structure of MurD ligase in complex with L-Glu containing sulfonamide inhibitor

Structural highlights

Evolutionary Conservation

Publication Abstract from PubMed

References

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Proteopedia Page Contributors and Editors (what is this?)

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