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[[Image:1gvg.gif|left|200px]]<br />
<applet load="1gvg" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1gvg, resolution 1.54&Aring;" />
'''CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE WITH NITRIC OXIDE'''<br />


==Overview==
==CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE with Nitric Oxide==
Clavaminate synthase (CAS), a 2-oxoglutarate (2OG) dependent dioxygenase, catalyses three steps in the biosynthesis of clavulanic acid. Crystals of, CAS complexed with Fe(II), 2OG and deoxyguanidinoproclavaminate were, exposed to nitric oxide (NO) acting as a dioxygen analogue. Prior to, exposure with NO, the active site Fe(II) is octahedrally coordinated by a, water molecule, the 2-oxo and 1-carboxylate groups of 2OG, and the, side-chains of an aspartyl and two histidinyl residues. NO binds to the, position previously occupied by the 2OG 1-carboxylate concomitant with, rearrangement of the latter to the position previously occupied by the, displaced water.
<StructureSection load='1gvg' size='340' side='right'caption='[[1gvg]], [[Resolution|resolution]] 1.54&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1gvg]] 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=1GVG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1GVG FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.54&#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=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=HOA:HYDROXYAMINE'>HOA</scene>, <scene name='pdbligand=PCX:DEOXYGUANIDINOPROCLAVAMINIC+ACID'>PCX</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1gvg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1gvg OCA], [https://pdbe.org/1gvg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1gvg RCSB], [https://www.ebi.ac.uk/pdbsum/1gvg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1gvg ProSAT]</span></td></tr>
</table>
== 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/gv/1gvg_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=1gvg ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Clavaminate synthase (CAS), a 2-oxoglutarate (2OG) dependent dioxygenase, catalyses three steps in the biosynthesis of clavulanic acid. Crystals of CAS complexed with Fe(II), 2OG and deoxyguanidinoproclavaminate were exposed to nitric oxide (NO) acting as a dioxygen analogue. Prior to exposure with NO, the active site Fe(II) is octahedrally coordinated by a water molecule, the 2-oxo and 1-carboxylate groups of 2OG, and the side-chains of an aspartyl and two histidinyl residues. NO binds to the position previously occupied by the 2OG 1-carboxylate concomitant with rearrangement of the latter to the position previously occupied by the displaced water.


==About this Structure==
Crystal structure of a clavaminate synthase-Fe(II)-2-oxoglutarate-substrate-NO complex: evidence for metal centered rearrangements.,Zhang Z, Ren J, Harlos K, McKinnon CH, Clifton IJ, Schofield CJ FEBS Lett. 2002 Apr 24;517(1-3):7-12. PMID:12062399<ref>PMID:12062399</ref>
1GVG 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, NO, AKG and PCX as [[http://en.wikipedia.org/wiki/ligands ligands]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1GVG OCA]].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Crystal structure of a clavaminate synthase-Fe(II)-2-oxoglutarate-substrate-NO complex: evidence for metal centered rearrangements., Zhang Z, Ren J, Harlos K, McKinnon CH, Clifton IJ, Schofield CJ, FEBS Lett. 2002 Apr 24;517(1-3):7-12. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12062399 12062399]
</div>
[[Category: Single protein]]
<div class="pdbe-citations 1gvg" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Streptomyces clavuligerus]]
[[Category: Streptomyces clavuligerus]]
[[Category: Clifton, I.J.]]
[[Category: Clifton IJ]]
[[Category: Harlos, K.]]
[[Category: Harlos K]]
[[Category: Mckinnon, C.H.]]
[[Category: McKinnon CH]]
[[Category: Ren, J.]]
[[Category: Ren J]]
[[Category: Schofield, C.J.]]
[[Category: Schofield CJ]]
[[Category: Zhang, Z.H.]]
[[Category: Zhang ZH]]
[[Category: AKG]]
[[Category: FE]]
[[Category: NO]]
[[Category: PCX]]
[[Category: SO4]]
[[Category: clavaminate synthase 1]]
[[Category: jelly roll]]
[[Category: lyase]]
[[Category: nitric oxide]]
[[Category: oxidoreductase]]
[[Category: oxygenase]]
[[Category: trifunctional enzyme]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 13:28:10 2007''

Latest revision as of 12:08, 13 December 2023

CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE with Nitric Oxide

1gvg, resolution 1.54Å

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