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1rxg

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(New page: 200px<br /><applet load="1rxg" size="450" color="white" frame="true" align="right" spinBox="true" caption="1rxg, resolution 1.5&Aring;" /> '''DEACETOXYCEPHALOSPORI...)
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[[Image:1rxg.jpg|left|200px]]<br /><applet load="1rxg" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1rxg, resolution 1.5&Aring;" />
 
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'''DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE'''<br />
 
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==Overview==
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==DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE==
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Penicillins and cephalosporins are among the most widely used therapeutic, agents. These antibiotics are produced from fermentation-derived materials, as their chemical synthesis is not commercially viable. Unconventional, steps in their biosynthesis are catalysed by Fe(II)-dependent, oxidases/oxygenases; isopenicillin N synthase (IPNS) creates in one step, the bicyclic nucleus of penicillins, and deacetoxycephalosporin C synthase, (DAOCS) catalyses the expansion of the penicillin nucleus into the nucleus, of cephalosporins. Both enzymes use dioxygen-derived ferryl intermediates, in catalysis but, in contrast to IPNS, the ferryl form of DAOCS is, produced by the oxidative splitting of a co-substrate, 2-oxoglutarate, (alpha-ketoglutarate). This route of controlled ferryl formation and, reaction is common to many mononuclear ferrous enzymes, which participate, in a broader range of reactions than their well-characterized, counterparts, the haem enzymes. Here we report the first crystal structure, of a 2-oxoacid-dependent oxygenase. High-resolution structures for, apo-DAOCS, the enzyme complexed with Fe(II), and with Fe(II) and, 2-oxoglutarate, were obtained from merohedrally twinned crystals. Using a, model based on these structures, we propose a mechanism for ferryl, formation.
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<StructureSection load='1rxg' size='340' side='right'caption='[[1rxg]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[1rxg]] is a 1 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=1RXG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1RXG FirstGlance]. <br>
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1RXG 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 FE, SO4 and AKG as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1RXG 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]] 1.5&#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=AKG:2-OXOGLUTARIC+ACID'>AKG</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=1rxg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rxg OCA], [https://pdbe.org/1rxg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1rxg RCSB], [https://www.ebi.ac.uk/pdbsum/1rxg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1rxg ProSAT]</span></td></tr>
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Structure of a cephalosporin synthase., Valegard K, van Scheltinga AC, Lloyd MD, Hara T, Ramaswamy S, Perrakis A, Thompson A, Lee HJ, Baldwin JE, Schofield CJ, Hajdu J, Andersson I, Nature. 1998 Aug 20;394(6695):805-9. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=9723623 9723623]
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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/CEFE_STRCL CEFE_STRCL] Catalyzes the step from penicillin N to deacetoxy-cephalosporin C.
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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/rx/1rxg_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=1rxg 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: Andersson, I.]]
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[[Category: Andersson I]]
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[[Category: Baldwin, J.E.]]
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[[Category: Baldwin JE]]
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[[Category: Hajdu, J.]]
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[[Category: Hajdu J]]
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[[Category: Hara, T.]]
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[[Category: Hara T]]
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[[Category: Lee, H.J.]]
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[[Category: Lee HJ]]
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[[Category: Lloyd, M.D.]]
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[[Category: Lloyd MD]]
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[[Category: Perrakis, A.]]
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[[Category: Perrakis A]]
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[[Category: Ramaswamy, S.]]
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[[Category: Ramaswamy S]]
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[[Category: Scheltinga, A.C.Terwisscha.Van.]]
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[[Category: Shofield CJ]]
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[[Category: Shofield, C.J.]]
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[[Category: Terwisscha Van Scheltinga AC]]
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[[Category: Thompson, A.]]
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[[Category: Thompson A]]
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[[Category: Valegard, K.]]
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[[Category: Valegard K]]
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[[Category: AKG]]
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[[Category: FE]]
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[[Category: SO4]]
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[[Category: 2-oxoglutarate]]
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[[Category: antibiotics]]
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[[Category: cephalosporin]]
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[[Category: ferrous oxygenase]]
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[[Category: merohedral twinning]]
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[[Category: oxidoreductase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 01:55:49 2007''
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Current revision

DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE

PDB ID 1rxg

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