1e5h

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[[Image:1e5h.gif|left|200px]]<br />
 
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<applet load="1e5h" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1e5h, resolution 1.96&Aring;" />
 
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'''DELTA-R307A DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH SUCCINATE AND CARBON DIOXIDE'''<br />
 
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==Overview==
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==DELTA-R307A DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH SUCCINATE AND CARBON DIOXIDE==
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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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<StructureSection load='1e5h' size='340' side='right'caption='[[1e5h]], [[Resolution|resolution]] 1.96&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1e5h]] 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=1E5H OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1E5H 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]] 1.96&#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=CO2:CARBON+DIOXIDE'>CO2</scene>, <scene name='pdbligand=FE2:FE+(II)+ION'>FE2</scene>, <scene name='pdbligand=SIN:SUCCINIC+ACID'>SIN</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=1e5h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1e5h OCA], [https://pdbe.org/1e5h PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1e5h RCSB], [https://www.ebi.ac.uk/pdbsum/1e5h PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1e5h 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/e5/1e5h_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=1e5h 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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1E5H 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 FE2, SIN and CO2 as [http://en.wikipedia.org/wiki/ligands ligands]. Structure known Active Site: FE. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1E5H 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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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11352583 11352583]
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</div>
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[[Category: Single protein]]
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<div class="pdbe-citations 1e5h" 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: CO2]]
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[[Category: FE2]]
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[[Category: SIN]]
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[[Category: 2-oxoglutarate]]
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[[Category: c-terminus antibiotics]]
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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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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 5 16:06:05 2007''
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Current revision

DELTA-R307A DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH SUCCINATE AND CARBON DIOXIDE

PDB ID 1e5h

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