1jgt

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[[Image:1jgt.gif|left|200px]]<br /><applet load="1jgt" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1jgt, resolution 1.95&Aring;" />
 
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'''CRYSTAL STRUCTURE OF BETA-LACTAM SYNTHETASE'''<br />
 
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==Overview==
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==CRYSTAL STRUCTURE OF BETA-LACTAM SYNTHETASE==
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The enzyme beta-lactam synthetase (beta-LS) catalyzes the formation of the beta-lactam ring in clavulanic acid, a clinically important beta-lactamase inhibitor. Whereas the penicillin beta-lactam ring is generated by isopenicillin N synthase (IPNS) in the presence of ferrous ion and dioxygen, beta-LS uses ATP and Mg2+ as cofactors. According to sequence alignments, beta-LS is homologous to class B asparagine synthetases (AS-Bs), ATP/Mg2+-dependent enzymes that convert aspartic acid to asparagine. Here we report the first crystal structure of a beta-LS. The 1.95 A resolution structure of Streptomyces clavuligerus beta-LS provides a fully resolved view of the active site in which substrate, closely related ATP analog alpha,beta-methyleneadenosine 5'-triphosphate (AMP-CPP) and a single Mg2+ ion are present. A high degree of substrate preorganization is observed. Comparison to Escherichia coli AS-B reveals the evolutionary changes that have taken place in beta-LS that impede interdomain reaction, which is essential in AS-B, and that accommodate beta-lactam formation. The structural data provide the opportunity to alter the synthetic potential of beta-LS, perhaps leading to the creation of new beta-lactamase inhibitors and beta-lactam antibiotics.
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<StructureSection load='1jgt' size='340' side='right'caption='[[1jgt]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[1jgt]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_clavuligerus Streptomyces clavuligerus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JGT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1JGT FirstGlance]. <br>
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1JGT is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Streptomyces_clavuligerus Streptomyces clavuligerus] with <scene name='pdbligand=MG:'>MG</scene>, <scene name='pdbligand=APC:'>APC</scene>, <scene name='pdbligand=CMA:'>CMA</scene> and <scene name='pdbligand=GOL:'>GOL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JGT OCA].
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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]] 1.95&#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=APC:DIPHOSPHOMETHYLPHOSPHONIC+ACID+ADENOSYL+ESTER'>APC</scene>, <scene name='pdbligand=CMA:N2-(CARBOXYETHYL)-L-ARGININE'>CMA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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==Reference==
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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=1jgt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jgt OCA], [https://pdbe.org/1jgt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1jgt RCSB], [https://www.ebi.ac.uk/pdbsum/1jgt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1jgt ProSAT]</span></td></tr>
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Structure of beta-lactam synthetase reveals how to synthesize antibiotics instead of asparagine., Miller MT, Bachmann BO, Townsend CA, Rosenzweig AC, Nat Struct Biol. 2001 Aug;8(8):684-9. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11473258 11473258]
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</table>
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[[Category: Single protein]]
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== Function ==
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[https://www.uniprot.org/uniprot/BLS_STRCL BLS_STRCL]
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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/jg/1jgt_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=1jgt ConSurf].
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<div style="clear:both"></div>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Streptomyces clavuligerus]]
[[Category: Streptomyces clavuligerus]]
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[[Category: Bachmann, B O.]]
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[[Category: Bachmann BO]]
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[[Category: Miller, M T.]]
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[[Category: Miller MT]]
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[[Category: Rosenzweig, A C.]]
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[[Category: Rosenzweig AC]]
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[[Category: Townsend, C A.]]
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[[Category: Townsend CA]]
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[[Category: APC]]
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[[Category: CMA]]
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[[Category: GOL]]
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[[Category: MG]]
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[[Category: ampcpp]]
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[[Category: asparagine synthetase]]
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[[Category: beta-lactam synthetase]]
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[[Category: carboxyethylarginine]]
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[[Category: cea]]
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[[Category: clavulanic acid]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:22:26 2008''
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Current revision

CRYSTAL STRUCTURE OF BETA-LACTAM SYNTHETASE

PDB ID 1jgt

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