1e5i

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{{STRUCTURE_1e5i| PDB=1e5i | SCENE= }}
 
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===DELTA-R306 DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH IRON AND 2-OXOGLUTARATE.===
 
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{{ABSTRACT_PUBMED_11352583}}
 
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==Function==
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==DELTA-R306 DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH IRON AND 2-OXOGLUTARATE.==
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[[http://www.uniprot.org/uniprot/CEFE_STRCL CEFE_STRCL]] Catalyzes the step from penicillin N to deacetoxy-cephalosporin C.
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<StructureSection load='1e5i' size='340' side='right'caption='[[1e5i]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1e5i]] 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=1E5I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1E5I 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]] 2.1&#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=FE2:FE+(II)+ION'>FE2</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=1e5i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1e5i OCA], [https://pdbe.org/1e5i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1e5i RCSB], [https://www.ebi.ac.uk/pdbsum/1e5i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1e5i ProSAT]</span></td></tr>
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</table>
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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/e5/1e5i_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=1e5i 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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Deacetoxycephalosporin C synthase (DAOCS) is an iron(II) and 2-oxoglutarate-dependent oxygenase that catalyzes the conversion of penicillin N to deacetoxycephalosporin C, the committed step in the biosynthesis of cephalosporin antibiotics. The crystal structure of DAOCS revealed that the C terminus of one molecule is inserted into the active site of its neighbor in a cyclical fashion within a trimeric unit. This arrangement has hindered the generation of crystalline enzyme-substrate complexes. Therefore, we constructed a series of DAOCS mutants with modified C termini. Oxidation of 2-oxoglutarate was significantly uncoupled from oxidation of the penicillin substrate in certain truncated mutants. The extent of uncoupling varied with the number of residues deleted and the penicillin substrate used. Crystal structures were determined for the DeltaR306 mutant complexed with iron(II) and 2-oxoglutarate (to 2.10 A) and the DeltaR306A mutant complexed with iron(II), succinate and unhydrated carbon dioxide (to 1.96 A). The latter may mimic a product complex, and supports proposals for a metal-bound CO(2) intermediate during catalysis.
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==About this Structure==
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Kinetic and crystallographic studies on deacetoxycephalosporin C synthase (DAOCS).,Lee HJ, Lloyd MD, Harlos K, Clifton IJ, Baldwin JE, Schofield CJ J Mol Biol. 2001 May 18;308(5):937-48. PMID:11352583<ref>PMID:11352583</ref>
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[[1e5i]] is a 1 chain structure with 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=1E5I 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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<ref group="xtra">PMID:011352583</ref><references group="xtra"/><references/>
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</div>
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[[Category: Deacetoxycephalosporin-C synthase]]
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<div class="pdbe-citations 1e5i" 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>
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[[Category: Large Structures]]
[[Category: Streptomyces clavuligerus]]
[[Category: Streptomyces clavuligerus]]
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[[Category: Baldwin, J E.]]
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[[Category: Baldwin JE]]
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[[Category: Clifton, I J.]]
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[[Category: Clifton IJ]]
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[[Category: Harlos, K.]]
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[[Category: Harlos K]]
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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: Schofield, C J.]]
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[[Category: Schofield CJ]]
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[[Category: 2-oxoglutarate]]
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[[Category: C-terminus antibiotic]]
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[[Category: Cephalosporin]]
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[[Category: Ferrous oxygenase]]
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[[Category: Oxidative coupling control]]
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[[Category: Oxidoreductase]]
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Current revision

DELTA-R306 DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH IRON AND 2-OXOGLUTARATE.

PDB ID 1e5i

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