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1e4e

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[[Image:1e4e.gif|left|200px]]<br />
 
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<applet load="1e4e" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1e4e, resolution 2.5&Aring;" />
 
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'''D-ALANYL-D-LACATE LIGASE'''<br />
 
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==Overview==
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==D-alanyl-D-lacate ligase==
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d-alanine-d-lactate ligase from Enterococcus faecium BM4147 is directly, responsible for the biosynthesis of alternate cell-wall precursors in, bacteria, which are resistant to the glycopeptide antibiotic vancomycin., The crystal structure has been determined with data extending to 2.5-A, resolution. This structure shows that the active site has unexpected, interactions and is distinct from previous models for d-alanyl-d-lactate, ligase mechanistic studies. It appears that the preference of the enzyme, for lactate as a ligand over d-alanine could be mediated by electrostatic, effects and/or a hydrogen-bonding network, which principally involve, His-244. The structure of d-alanyl-d-lactate ligase provides a revised, interpretation of the molecular events that lead to vancomycin resistance.
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<StructureSection load='1e4e' size='340' side='right'caption='[[1e4e]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1e4e]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Enterococcus_faecium Enterococcus faecium]. The December 2015 RCSB PDB [https://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/index.html Molecule of the Month] feature on ''Vancomycin'' by David Goodsell is [https://dx.doi.org/10.2210/rcsb_pdb/mom_2015_12 10.2210/rcsb_pdb/mom_2015_12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E4E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1E4E 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]] 2.5&#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=ADP:ADENOSINE-5-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PHY:1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC+ACID'>PHY</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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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=1e4e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1e4e OCA], [https://pdbe.org/1e4e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1e4e RCSB], [https://www.ebi.ac.uk/pdbsum/1e4e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1e4e ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/VANA_ENTFC VANA_ENTFC] Required for high-level resistance to glycopeptide antibiotics. D-Ala--D-Ala ligase of altered specificity which catalyzes ester bond formation between D-Ala and various D-hydroxy acids; produces a peptidoglycan which does not terminate in D-alanine but in D-lactate, thus preventing vancomycin or teicoplanin binding.<ref>PMID:1931965</ref>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/e4/1e4e_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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/main_output.php?pdb_ID=1e4e ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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d-alanine-d-lactate ligase from Enterococcus faecium BM4147 is directly responsible for the biosynthesis of alternate cell-wall precursors in bacteria, which are resistant to the glycopeptide antibiotic vancomycin. The crystal structure has been determined with data extending to 2.5-A resolution. This structure shows that the active site has unexpected interactions and is distinct from previous models for d-alanyl-d-lactate ligase mechanistic studies. It appears that the preference of the enzyme for lactate as a ligand over d-alanine could be mediated by electrostatic effects and/or a hydrogen-bonding network, which principally involve His-244. The structure of d-alanyl-d-lactate ligase provides a revised interpretation of the molecular events that lead to vancomycin resistance.
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==About this Structure==
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The molecular basis of vancomycin resistance in clinically relevant Enterococci: crystal structure of D-alanyl-D-lactate ligase (VanA).,Roper DI, Huyton T, Vagin A, Dodson G Proc Natl Acad Sci U S A. 2000 Aug 1;97(16):8921-5. PMID:10908650<ref>PMID:10908650</ref>
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1E4E is a [[http://en.wikipedia.org/wiki/Protein_complex Protein complex]] structure of sequences from [[http://en.wikipedia.org/wiki/Enterococcus_faecium Enterococcus faecium]] with MG, SO4, ADP, PHY and GOL as [[http://en.wikipedia.org/wiki/ligands ligands]]. Structure known Active Sites: AC1, AC2, AC3 and AC4. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1E4E OCA]].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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The molecular basis of vancomycin resistance in clinically relevant Enterococci: crystal structure of D-alanyl-D-lactate ligase (VanA)., Roper DI, Huyton T, Vagin A, Dodson G, Proc Natl Acad Sci U S A. 2000 Aug 1;97(16):8921-5. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=10908650 10908650]
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</div>
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<div class="pdbe-citations 1e4e" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Enterococcus faecium]]
[[Category: Enterococcus faecium]]
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[[Category: Protein complex]]
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[[Category: Large Structures]]
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[[Category: Roper, D.I.]]
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[[Category: RCSB PDB Molecule of the Month]]
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[[Category: ADP]]
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[[Category: Vancomycin]]
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[[Category: GOL]]
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[[Category: Roper DI]]
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[[Category: MG]]
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[[Category: PHY]]
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[[Category: SO4]]
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[[Category: antibiotic resistance]]
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[[Category: cell wall]]
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[[Category: ligase]]
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[[Category: membrane]]
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[[Category: peptidoglycan synthesis]]
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[[Category: plasmid]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 09:48:49 2007''
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Current revision

D-alanyl-D-lacate ligase

PDB ID 1e4e

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