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New page: left|200px<br /><applet load="1ds1" size="450" color="white" frame="true" align="right" spinBox="true" caption="1ds1, resolution 1.08Å" /> '''CRYSTAL STRUCTURE OF...
 
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[[Image:1ds1.gif|left|200px]]<br /><applet load="1ds1" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1ds1, resolution 1.08&Aring;" />
'''CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II) AND 2-OXOGLUTARATE'''<br />


==Overview==
==CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II) AND 2-OXOGLUTARATE==
Clavaminate synthase (CAS), a remarkable Fe(II)/2-oxoglutarate oxygenase, catalyzes three separate oxidative reactions in the biosynthesis of, clavulanic acid, a clinically used inhibitor of serine beta-lactamases., The first CAS-catalyzed step (hydroxylation) is separated from the latter, two (oxidative cyclization/desaturation) by the action of an, amidinohydrolase. Here, we describe crystal structures of CAS in complex, with Fe(II), 2-oxoglutarate (2OG) and substrates, (N-alpha-acetyl-L-arginine and proclavaminic acid). They reveal how CAS, catalyzes formation of the clavam nucleus, via a process unprecedented in, synthetic organic chemistry, and suggest how it discriminates between, substrates and controls reaction of its highly reactive ferryl, intermediate. The presence of an unpredicted jelly roll beta-barrel core, in CAS implies divergent evolution within the family of 2OG and related, oxygenases. Comparison with other non-heme oxidases/oxygenases reveals, flexibility in the position which dioxygen ligates to the iron, in, contrast to the analogous heme-using enzymes.
<StructureSection load='1ds1' size='340' side='right'caption='[[1ds1]], [[Resolution|resolution]] 1.08&Aring;' scene=''>
 
== Structural highlights ==
==About this Structure==
<table><tr><td colspan='2'>[[1ds1]] 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=1DS1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1DS1 FirstGlance]. <br>
1DS1 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 SO4, FE2, AKG and PGO as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1DS1 OCA].
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.08&#8491;</td></tr>
 
<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>, <scene name='pdbligand=PGO:S-1,2-PROPANEDIOL'>PGO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
==Reference==
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1ds1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ds1 OCA], [https://pdbe.org/1ds1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ds1 RCSB], [https://www.ebi.ac.uk/pdbsum/1ds1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ds1 ProSAT]</span></td></tr>
Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase., Zhang Z, Ren J, Stammers DK, Baldwin JE, Harlos K, Schofield CJ, Nat Struct Biol. 2000 Feb;7(2):127-33. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=10655615 10655615]
</table>
[[Category: Single protein]]
== Function ==
[https://www.uniprot.org/uniprot/CAS1_STRCL CAS1_STRCL]
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ds/1ds1_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</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=1ds1 ConSurf].
<div style="clear:both"></div>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Streptomyces clavuligerus]]
[[Category: Streptomyces clavuligerus]]
[[Category: Baldwin, J.E.]]
[[Category: Baldwin JE]]
[[Category: Harlos, K.]]
[[Category: Harlos K]]
[[Category: Ren, J.]]
[[Category: Ren J]]
[[Category: Schofield, C.J.]]
[[Category: Schofield CJ]]
[[Category: Stammers, D.K.]]
[[Category: Stammers DK]]
[[Category: Zhang, Z.H.]]
[[Category: Zhang ZH]]
[[Category: AKG]]
[[Category: FE2]]
[[Category: PGO]]
[[Category: SO4]]
[[Category: clavaminate synthase 1]]
[[Category: oxygenase]]
[[Category: trifunctional enzyme]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 13:32:12 2007''
Retrieved from "https://proteopedia.org/1ds1"