1rxg

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[[Image:1rxg.jpg|left|200px]]
 
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{{Structure
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==DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE==
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|PDB= 1rxg |SIZE=350|CAPTION= <scene name='initialview01'>1rxg</scene>, resolution 1.5&Aring;
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<StructureSection load='1rxg' size='340' side='right'caption='[[1rxg]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=AKG:2-OXYGLUTARIC+ACID'>AKG</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>
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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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|ACTIVITY=
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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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|GENE=
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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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|DOMAIN=
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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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|RELATEDENTRY=
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1rxg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rxg OCA], [http://www.ebi.ac.uk/pdbsum/1rxg PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1rxg RCSB]</span>
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== Function ==
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}}
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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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'''DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE'''
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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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==Overview==
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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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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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<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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==About this Structure==
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</jmolCheckbox>
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1RXG is a [[Single protein]] structure of sequence from [http://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].
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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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==Reference==
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__TOC__
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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://www.ncbi.nlm.nih.gov/pubmed/9723623 9723623]
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</StructureSection>
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[[Category: Single protein]]
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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: 2-oxoglutarate]]
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[[Category: antibiotic]]
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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://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:34:18 2008''
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Current revision

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

PDB ID 1rxg

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