2xpc: Difference between revisions

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-[[Image:2xpc.jpg|left|200px]]
-<!--
+==Second-generation sulfonamide inhibitors of MurD: Activity optimisation with conformationally rigid analogues of D-glutamic acid==
-The line below this paragraph, containing "STRUCTURE_2xpc", creates the "Structure Box" on the page.
+<StructureSection load='2xpc' size='340' side='right'caption='[[2xpc]], [[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'>[[2xpc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XPC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XPC 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=051:(1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC+ACID'>051</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></td></tr>
-{{STRUCTURE_2xpc|  PDB=2xpc  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2xpc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xpc OCA], [https://pdbe.org/2xpc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xpc RCSB], [https://www.ebi.ac.uk/pdbsum/2xpc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xpc 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 ==
+d-Glutamic acid-adding enzyme (MurD) catalyses the essential addition of d-glutamic acid to the cytoplasmic peptidoglycan precursor UDP-N-acetylmuramoyl-l-alanine, and as such it represents an important antibacterial drug-discovery target enzyme. Based on a series of naphthalene-N-sulfonyl-d-Glu derivatives synthesised recently, we synthesised two series of new, optimised sulfonamide inhibitors of MurD that incorporate rigidified mimetics of d-Glu. The compounds that contained either constrained d-Glu or related rigid d-Glu mimetics showed significantly better inhibitory activities than the parent compounds, thereby confirming the advantage of molecular rigidisation in the design of MurD inhibitors. The binding modes of the best inhibitors were examined with high-resolution NMR spectroscopy and X-ray crystallography. We have solved a new crystal structure of the complex of MurD with an inhibitor bearing a 4-aminocyclohexane-1,3-dicarboxyl moiety. These data provide an additional step towards the development of sulfonamide inhibitors with potential antibacterial activities.
-===SECOND-GENERATION SULFONAMIDE INHIBITORS OF MURD: ACTIVITY OPTIMISATION WITH CONFORMATIONALLY RIGID ANALOGUES OF D-GLUTAMIC ACID===
+Second-generation sulfonamide inhibitors of d-glutamic acid-adding enzyme: Activity optimisation with conformationally rigid analogues of d-glutamic acid.,Sosic I, Barreteau H, Simcic M, Sink R, Cesar J, Zega A, Grdadolnik SG, Contreras-Martel C, Dessen A, Amoroso A, Joris B, Blanot D, Gobec S Eur J Med Chem. 2011 Apr 9. PMID:21524830<ref>PMID:21524830</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 2xpc" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_21524830}}, adds the Publication Abstract to the page
+*[[Mur ligase|Mur ligase]]
-(as it appears on PubMed at http://www.pubmed.gov), where 21524830 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_21524830}}
+__TOC__
+</StructureSection>
-==About this Structure==
-[[2xpc]] 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=2XPC OCA].
-==Reference==
-<ref group="xtra">PMID:021524830</ref><references group="xtra"/>
 [[Category: Escherichia coli]]
-[[Category: UDP-N-acetylmuramoyl-L-alanine--D-glutamate ligase]]
+[[Category: Large Structures]]
-[[Category: Amoroso, A.]]
+[[Category: Amoroso A]]
-[[Category: Barreteau, H.]]
+[[Category: Barreteau H]]
-[[Category: Blanot, D.]]
+[[Category: Blanot D]]
-[[Category: Cesar, J.]]
+[[Category: Cesar J]]
-[[Category: Contreras-Martel, C.]]
+[[Category: Contreras-Martel C]]
-[[Category: Dessen, A.]]
+[[Category: Dessen A]]
-[[Category: Gobec, S.]]
+[[Category: Gobec S]]
-[[Category: Golic-Grdadolnik, S.]]
+[[Category: Golic-Grdadolnik S]]
-[[Category: Joris, B.]]
+[[Category: Joris B]]
-[[Category: Simcic, M.]]
+[[Category: Simcic M]]
-[[Category: Sink, R.]]
+[[Category: Sink R]]
-[[Category: Sosic, I.]]
+[[Category: Sosic I]]