2vbd

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{{STRUCTURE_2vbd| PDB=2vbd | SCENE= }}
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==Isopenicillin N synthase with substrate analogue L,L,L-ACOMP (unexposed)==
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===Isopenicillin N synthase with substrate analogue L,L,L-ACOMP (unexposed)===
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<StructureSection load='2vbd' size='340' side='right' caption='[[2vbd]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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{{ABSTRACT_PUBMED_20024142}}
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2vbd]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Emericella_nidulans Emericella nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VBD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VBD FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FE2:FE+(II)+ION'>FE2</scene>, <scene name='pdbligand=V10:N^6^-[(1R)-2-[(1R)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-2-OXO-1-(SULFANYLMETHYL)ETHYL]-6-OXO-L-LYSINE'>V10</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1hb1|1hb1]], [[1ips|1ips]], [[1oc1|1oc1]], [[1w04|1w04]], [[1w05|1w05]], [[1w3v|1w3v]], [[2bjs|2bjs]], [[2jb4|2jb4]], [[2vau|2vau]], [[1bk0|1bk0]], [[1blz|1blz]], [[1hb2|1hb2]], [[1hb3|1hb3]], [[1hb4|1hb4]], [[1obn|1obn]], [[1odm|1odm]], [[1odn|1odn]], [[1qiq|1qiq]], [[1qje|1qje]], [[1qjf|1qjf]], [[1uzw|1uzw]], [[1w03|1w03]], [[1w06|1w06]], [[1w3x|1w3x]], [[2bu9|2bu9]], [[2ivi|2ivi]], [[2ivj|2ivj]], [[2vbb|2vbb]]</td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Isopenicillin-N_synthase Isopenicillin-N synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.21.3.1 1.21.3.1] </span></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2vbd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vbd OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vbd RCSB], [http://www.ebi.ac.uk/pdbsum/2vbd PDBsum]</span></td></tr>
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<table>
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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/vb/2vbd_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/chain_selection.php?pdb_ID=2ata 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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Isopenicillin N synthase (IPNS) is a non-heme iron(ii) oxidase, which catalyses the biosynthesis of isopenicillin N (IPN) from the tripeptide delta-l-alpha-aminoadipoyl-l-cysteinyl-d-valine (lld-ACV) in a remarkable oxidative bicyclisation reaction. The natural substrate for IPNS is the lld-configured tripeptide. lll-ACV is not turned over by the enzyme, but inhibits turnover of the lld-tripeptide. The mechanism by which this inhibition takes place is not fully understood. Recent studies have employed a range of lld-configured depsipeptide substrate analogues in crystallographic studies to probe events preceding beta-lactam closure in the IPNS reaction cycle. Herein, we report the first crystal structure of IPNS in complex with an lll-configured depsipeptide analogue, delta-l-alpha-aminoadipoyl-l-cysteine (1-(R)-carboxy-2-thiomethyl)ethyl ester (lll-ACOmC). This report describes the crystal structure of the IPNS:Fe(ii):lll-ACOmC complex to 2.0 A resolution, and discusses attempts to oxygenate this complex at high pressure in order to probe the mechanism by which lll-configured substrates inhibit IPNS catalysis.
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==About this Structure==
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The crystal structure of an LLL-configured depsipeptide substrate analogue bound to isopenicillin N synthase.,Ge W, Clifton IJ, Stok JE, Adlington RM, Baldwin JE, Rutledge PJ Org Biomol Chem. 2010 Jan 7;8(1):122-7. doi: 10.1039/b910170e. Epub 2009 Oct 29. PMID:20024142<ref>PMID:20024142</ref>
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[[2vbd]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Emericella_nidulans Emericella nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VBD OCA].
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
==See Also==
==See Also==
*[[Isopenicillin N synthase|Isopenicillin N synthase]]
*[[Isopenicillin N synthase|Isopenicillin N synthase]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Emericella nidulans]]
[[Category: Emericella nidulans]]
[[Category: Isopenicillin-N synthase]]
[[Category: Isopenicillin-N synthase]]

Revision as of 02:17, 1 October 2014

Isopenicillin N synthase with substrate analogue L,L,L-ACOMP (unexposed)

2vbd, resolution 2.00Å

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