2bjs - Revision history

OCA at 13:41, 13 December 2023

2023-12-13T13:41:21Z

← Older revision		Revision as of 13:41, 13 December 2023
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	<StructureSection load='2bjs' size='340' side='right'caption='[[2bjs]], [[Resolution\|resolution]] 1.30Å' scene=''>		<StructureSection load='2bjs' size='340' side='right'caption='[[2bjs]], [[Resolution\|resolution]] 1.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2bjs]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~A._nidulans A.~~ nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BJS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2BJS FirstGlance]. <br>		<table><tr><td colspan='2'>[[2bjs]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_nidulans Aspergillus nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BJS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2BJS FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACV:L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE'>ACV</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=MEE:METHANETHIOL'>MEE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene~~></td></tr>~~		</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.3Å</td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1bk0\|1bk0]], [[1blz\|1blz]], [[1hb1\|1hb1]], [[1hb2\|1hb2]], [[1hb3\|1hb3]], [[1hb4\|1hb4]], [[1ips\|1ips]], [[1obn\|1obn]], [[1oc1\|1oc1]], [[1odm\|1odm]], [[1odn\|1odn]], [[1qiq\|1qiq]], [[1qje\|1qje]], [[1qjf\|1qjf]], [[1uzw\|1uzw]], [[1w03\|1w03]], [[1w04\|1w04]], [[1w05\|1w05]], [[1w06\|1w06]], [[1w3v\|1w3v]], [[1w3x\|1w3x]], [[2bu9\|2bu9]]</div></td></tr>		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACV:L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE'>ACV</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=MEE:METHANETHIOL'>MEE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Isopenicillin-N_synthase Isopenicillin-N synthase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.21.3.1 1.21.3.1] </span></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=2bjs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bjs OCA], [https://pdbe.org/2bjs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2bjs RCSB], [https://www.ebi.ac.uk/pdbsum/2bjs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2bjs ProSAT]</span></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=2bjs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bjs OCA], [https://pdbe.org/2bjs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2bjs RCSB], [https://www.ebi.ac.uk/pdbsum/2bjs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2bjs ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[https://www.uniprot.org/uniprot/~~IPNS_EMENI IPNS_EMENI~~]~~] Removes~~, in the ~~presence~~ of ~~oxygen, 4 hydrogen atoms from delta~~-L-(~~alpha~~-~~aminoadipyl~~)-L-cysteinyl-D-valine (ACV) to ~~form~~ the ~~azetidinone and thiazolidine rings of~~ isopenicillin.		[https://www.uniprot.org/uniprot/IPNA_EMENI IPNA_EMENI] Isopenicillin N synthase; part of the gene cluster that mediates the biosynthesis of penicillin, the world's most important antibiotic (PubMed:3319778, PubMed:11755401). IpnA catalyzes the cyclization of the tripeptide N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine (LLD-ACV or ACV) to form isopenicillin N (IPN) that contains the beta-lactam nucleus (PubMed:3319778, PubMed:11755401, PubMed:28703303). The penicillin biosynthesis occurs via 3 enzymatic steps, the first corresponding to the production of the tripeptide N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine (LLD-ACV or ACV) by the NRPS acvA. The tripeptide ACV is then cyclized to isopenicillin N (IPN) by the isopenicillin N synthase ipnA that forms the beta-lactam nucleus. Finally, the alpha-aminoadipyl side chain is exchanged for phenylacetic acid by the isopenicillin N acyltransferase penDE to yield penicillin in the peroxisomal matrix (By similarity).[UniProtKB:P08703]<ref>PMID:11755401</ref> <ref>PMID:28703303</ref> <ref>PMID:3319778</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: A. nidulans]]		[[Category: Aspergillus nidulans]]
	~~[[Category: Isopenicillin-N synthase~~]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Burzlaff~~, N I~~]]		[[Category: Burzlaff NI]]
	[[Category: Clifton~~, I J~~]]		[[Category: Clifton IJ]]
	[[Category: McNeill~~, L A~~]]		[[Category: McNeill LA]]
	[[Category: Sami, M]]		[[Category: Sami M]]
	~~[[Category: Antibiotic biosynthesis]]~~
	~~[[Category: B-lactam antibiotic]]~~
	~~[[Category: Iron]]~~
	~~[[Category: Oxidoreductase]]~~
	~~[[Category: Oxygenase]]~~
	~~[[Category: Penicillin biosynthesis]]~~
	~~[[Category: Vitamin c~~]]

OCA at 13:38, 13 October 2021

2021-10-13T13:38:08Z

← Older revision		Revision as of 13:38, 13 October 2021
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	<StructureSection load='2bjs' size='340' side='right'caption='[[2bjs]], [[Resolution\|resolution]] 1.30Å' scene=''>		<StructureSection load='2bjs' size='340' side='right'caption='[[2bjs]], [[Resolution\|resolution]] 1.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2bjs]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/A._nidulans A. nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BJS OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2BJS FirstGlance]. <br>		<table><tr><td colspan='2'>[[2bjs]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/A._nidulans A. nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BJS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2BJS FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACV:L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE'>ACV</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=MEE:METHANETHIOL'>MEE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACV:L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE'>ACV</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=MEE:METHANETHIOL'>MEE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bk0\|1bk0]], [[1blz\|1blz]], [[1hb1\|1hb1]], [[1hb2\|1hb2]], [[1hb3\|1hb3]], [[1hb4\|1hb4]], [[1ips\|1ips]], [[1obn\|1obn]], [[1oc1\|1oc1]], [[1odm\|1odm]], [[1odn\|1odn]], [[1qiq\|1qiq]], [[1qje\|1qje]], [[1qjf\|1qjf]], [[1uzw\|1uzw]], [[1w03\|1w03]], [[1w04\|1w04]], [[1w05\|1w05]], [[1w06\|1w06]], [[1w3v\|1w3v]], [[1w3x\|1w3x]], [[2bu9\|2bu9]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1bk0\|1bk0]], [[1blz\|1blz]], [[1hb1\|1hb1]], [[1hb2\|1hb2]], [[1hb3\|1hb3]], [[1hb4\|1hb4]], [[1ips\|1ips]], [[1obn\|1obn]], [[1oc1\|1oc1]], [[1odm\|1odm]], [[1odn\|1odn]], [[1qiq\|1qiq]], [[1qje\|1qje]], [[1qjf\|1qjf]], [[1uzw\|1uzw]], [[1w03\|1w03]], [[1w04\|1w04]], [[1w05\|1w05]], [[1w06\|1w06]], [[1w3v\|1w3v]], [[1w3x\|1w3x]], [[2bu9\|2bu9]]</div></td></tr>
	<tr id='activity'><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>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Isopenicillin-N_synthase Isopenicillin-N synthase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.21.3.1 1.21.3.1] </span></td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2bjs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bjs OCA], [~~http~~://pdbe.org/2bjs PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2bjs RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2bjs PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2bjs ProSAT]</span></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=2bjs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bjs OCA], [https://pdbe.org/2bjs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2bjs RCSB], [https://www.ebi.ac.uk/pdbsum/2bjs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2bjs ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[~~http~~://www.uniprot.org/uniprot/IPNS_EMENI IPNS_EMENI]] Removes, in the presence of oxygen, 4 hydrogen atoms from delta-L-(alpha-aminoadipyl)-L-cysteinyl-D-valine (ACV) to form the azetidinone and thiazolidine rings of isopenicillin.		[[https://www.uniprot.org/uniprot/IPNS_EMENI IPNS_EMENI]] Removes, in the presence of oxygen, 4 hydrogen atoms from delta-L-(alpha-aminoadipyl)-L-cysteinyl-D-valine (ACV) to form the azetidinone and thiazolidine rings of isopenicillin.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 19:06, 11 December 2019

2019-12-11T19:06:42Z

← Older revision		Revision as of 19:06, 11 December 2019
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	==Isopenicillin N synthase C-terminal truncation mutant==		==Isopenicillin N synthase C-terminal truncation mutant==
	<StructureSection load='2bjs' size='340' side='right' caption='[[2bjs]], [[Resolution\|resolution]] 1.30Å' scene=''>		<StructureSection load='2bjs' size='340' side='right'caption='[[2bjs]], [[Resolution\|resolution]] 1.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2bjs]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/A._nidulans A. nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BJS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2BJS FirstGlance]. <br>		<table><tr><td colspan='2'>[[2bjs]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/A._nidulans A. nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BJS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2BJS FirstGlance]. <br>
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	[[Category: A. nidulans]]		[[Category: A. nidulans]]
	[[Category: Isopenicillin-N synthase]]		[[Category: Isopenicillin-N synthase]]
			[[Category: Large Structures]]
	[[Category: Burzlaff, N I]]		[[Category: Burzlaff, N I]]
	[[Category: Clifton, I J]]		[[Category: Clifton, I J]]

OCA at 07:33, 22 February 2018

2018-02-22T07:33:54Z

← Older revision		Revision as of 07:33, 22 February 2018
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	[[Category: Burzlaff, N I]]		[[Category: Burzlaff, N I]]
	[[Category: Clifton, I J]]		[[Category: Clifton, I J]]
	[[Category: ~~Mcneill~~, L A]]		[[Category: McNeill, L A]]
	[[Category: Sami, M]]		[[Category: Sami, M]]
	[[Category: Antibiotic biosynthesis]]		[[Category: Antibiotic biosynthesis]]

OCA at 07:29, 6 December 2017

2017-12-06T07:29:02Z

← Older revision		Revision as of 07:29, 6 December 2017
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	==~~ISOPENICILLIN~~ N ~~SYNTHASE~~ C-~~TERMINAL TRUNCATION MUTANT~~==
			==Isopenicillin N synthase C-terminal truncation mutant==
	<StructureSection load='2bjs' size='340' side='right' caption='[[2bjs]], [[Resolution\|resolution]] 1.30Å' scene=''>		<StructureSection load='2bjs' size='340' side='right' caption='[[2bjs]], [[Resolution\|resolution]] 1.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
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	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bk0\|1bk0]], [[1blz\|1blz]], [[1hb1\|1hb1]], [[1hb2\|1hb2]], [[1hb3\|1hb3]], [[1hb4\|1hb4]], [[1ips\|1ips]], [[1obn\|1obn]], [[1oc1\|1oc1]], [[1odm\|1odm]], [[1odn\|1odn]], [[1qiq\|1qiq]], [[1qje\|1qje]], [[1qjf\|1qjf]], [[1uzw\|1uzw]], [[1w03\|1w03]], [[1w04\|1w04]], [[1w05\|1w05]], [[1w06\|1w06]], [[1w3v\|1w3v]], [[1w3x\|1w3x]], [[2bu9\|2bu9]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bk0\|1bk0]], [[1blz\|1blz]], [[1hb1\|1hb1]], [[1hb2\|1hb2]], [[1hb3\|1hb3]], [[1hb4\|1hb4]], [[1ips\|1ips]], [[1obn\|1obn]], [[1oc1\|1oc1]], [[1odm\|1odm]], [[1odn\|1odn]], [[1qiq\|1qiq]], [[1qje\|1qje]], [[1qjf\|1qjf]], [[1uzw\|1uzw]], [[1w03\|1w03]], [[1w04\|1w04]], [[1w05\|1w05]], [[1w06\|1w06]], [[1w3v\|1w3v]], [[1w3x\|1w3x]], [[2bu9\|2bu9]]</td></tr>
	<tr id='activity'><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>		<tr id='activity'><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>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bjs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bjs OCA], [http://pdbe.org/2bjs PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2bjs RCSB], [http://www.ebi.ac.uk/pdbsum/2bjs PDBsum]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bjs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bjs OCA], [http://pdbe.org/2bjs PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2bjs RCSB], [http://www.ebi.ac.uk/pdbsum/2bjs PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2bjs ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bj/2bjs_consurf.spt"</scriptWhenChecked>		<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bj/2bjs_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</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/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].		</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=2bjs ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Isopenicillin N synthase (IPNS) catalyses the four-electron oxidation of a tripeptide, l-delta-(alpha-aminoadipoyl)-l-cysteinyl-d-valine (ACV), to give isopenicillin N (IPN), the first-formed beta-lactam in penicillin and cephalosporin biosynthesis. IPNS catalysis is dependent upon an iron(II) cofactor and oxygen as a co-substrate. In the absence of substrate, the carbonyl oxygen of the side-chain amide of the penultimate residue, Gln330, co-ordinates to the active-site metal iron. Substrate binding ablates the interaction between Gln330 and the metal, triggering rearrangement of seven C-terminal residues, which move to take up a conformation that extends the final alpha-helix and encloses ACV in the active site. Mutagenesis studies are reported, which probe the role of the C-terminal and other aspects of the substrate binding pocket in IPNS. The hydrophobic nature of amino acid side-chains around the ACV binding pocket is important in catalysis. Deletion of seven C-terminal residues exposes the active site and leads to formation of a new type of thiol oxidation product. The isolated product is shown by LC-MS and NMR analyses to be the ene-thiol tautomer of a dithioester, made up from two molecules of ACV linked between the thiol sulfur of one tripeptide and the oxidised cysteinyl beta-carbon of the other. A mechanism for its formation is proposed, supported by an X-ray crystal structure, which shows the substrate ACV bound at the active site, its cysteinyl beta-carbon exposed to attack by a second molecule of substrate, adjacent. Formation of this product constitutes a new mode of reaction for IPNS and non-heme iron oxidases in general.

			Terminally Truncated Isopenicillin N Synthase Generates a Dithioester Product: Evidence for a Thioaldehyde Intermediate during Catalysis and a New Mode of Reaction for Non-Heme Iron Oxidases.,McNeill LA, Brown TJN, Sami M, Clifton IJ, Burzlaff NI, Claridge TDW, Adlington RM, Baldwin JE, Rutledge PJ, Schofield CJ Chemistry. 2017 Sep 18;23(52):12815-12824. doi: 10.1002/chem.201701592. Epub 2017, Aug 21. PMID:28703303<ref>PMID:28703303</ref>

			From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
			<div class="pdbe-citations 2bjs" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Isopenicillin N synthase\|Isopenicillin N synthase]]		*[[Isopenicillin N synthase\|Isopenicillin N synthase]]
			== References ==
			<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 01:17, 12 September 2015

2015-09-12T01:17:27Z

← Older revision		Revision as of 01:17, 12 September 2015
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	<StructureSection load='2bjs' size='340' side='right' caption='[[2bjs]], [[Resolution\|resolution]] 1.30Å' scene=''>		<StructureSection load='2bjs' size='340' side='right' caption='[[2bjs]], [[Resolution\|resolution]] 1.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2bjs]] 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=2BJS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2BJS FirstGlance]. <br>		<table><tr><td colspan='2'>[[2bjs]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/A._nidulans A. nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BJS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2BJS FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACV:L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE'>ACV</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=MEE:METHANETHIOL'>MEE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACV:L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE'>ACV</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=MEE:METHANETHIOL'>MEE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bk0\|1bk0]], [[1blz\|1blz]], [[1hb1\|1hb1]], [[1hb2\|1hb2]], [[1hb3\|1hb3]], [[1hb4\|1hb4]], [[1ips\|1ips]], [[1obn\|1obn]], [[1oc1\|1oc1]], [[1odm\|1odm]], [[1odn\|1odn]], [[1qiq\|1qiq]], [[1qje\|1qje]], [[1qjf\|1qjf]], [[1uzw\|1uzw]], [[1w03\|1w03]], [[1w04\|1w04]], [[1w05\|1w05]], [[1w06\|1w06]], [[1w3v\|1w3v]], [[1w3x\|1w3x]], [[2bu9\|2bu9]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bk0\|1bk0]], [[1blz\|1blz]], [[1hb1\|1hb1]], [[1hb2\|1hb2]], [[1hb3\|1hb3]], [[1hb4\|1hb4]], [[1ips\|1ips]], [[1obn\|1obn]], [[1oc1\|1oc1]], [[1odm\|1odm]], [[1odn\|1odn]], [[1qiq\|1qiq]], [[1qje\|1qje]], [[1qjf\|1qjf]], [[1uzw\|1uzw]], [[1w03\|1w03]], [[1w04\|1w04]], [[1w05\|1w05]], [[1w06\|1w06]], [[1w3v\|1w3v]], [[1w3x\|1w3x]], [[2bu9\|2bu9]]</td></tr>
	<tr id='activity'><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>		<tr id='activity'><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>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bjs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bjs OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2bjs RCSB], [http://www.ebi.ac.uk/pdbsum/2bjs PDBsum]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bjs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bjs OCA], [http://pdbe.org/2bjs PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2bjs RCSB], [http://www.ebi.ac.uk/pdbsum/2bjs PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 25:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Emericella~~ nidulans]]		[[Category: A. nidulans]]
	[[Category: Isopenicillin-N synthase]]		[[Category: Isopenicillin-N synthase]]
	[[Category: Burzlaff, N I]]		[[Category: Burzlaff, N I]]

OCA at 21:53, 25 December 2014

2014-12-25T21:53:46Z

← Older revision		Revision as of 21:53, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2bjs]] 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=2BJS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2BJS FirstGlance]. <br>		<table><tr><td colspan='2'>[[2bjs]] 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=2BJS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2BJS FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACV:L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE'>ACV</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=MEE:METHANETHIOL'>MEE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACV:L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE'>ACV</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=MEE:METHANETHIOL'>MEE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bk0\|1bk0]], [[1blz\|1blz]], [[1hb1\|1hb1]], [[1hb2\|1hb2]], [[1hb3\|1hb3]], [[1hb4\|1hb4]], [[1ips\|1ips]], [[1obn\|1obn]], [[1oc1\|1oc1]], [[1odm\|1odm]], [[1odn\|1odn]], [[1qiq\|1qiq]], [[1qje\|1qje]], [[1qjf\|1qjf]], [[1uzw\|1uzw]], [[1w03\|1w03]], [[1w04\|1w04]], [[1w05\|1w05]], [[1w06\|1w06]], [[1w3v\|1w3v]], [[1w3x\|1w3x]], [[2bu9\|2bu9]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bk0\|1bk0]], [[1blz\|1blz]], [[1hb1\|1hb1]], [[1hb2\|1hb2]], [[1hb3\|1hb3]], [[1hb4\|1hb4]], [[1ips\|1ips]], [[1obn\|1obn]], [[1oc1\|1oc1]], [[1odm\|1odm]], [[1odn\|1odn]], [[1qiq\|1qiq]], [[1qje\|1qje]], [[1qjf\|1qjf]], [[1uzw\|1uzw]], [[1w03\|1w03]], [[1w04\|1w04]], [[1w05\|1w05]], [[1w06\|1w06]], [[1w3v\|1w3v]], [[1w3x\|1w3x]], [[2bu9\|2bu9]]</td></tr>
	<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>		<tr id='activity'><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>
	<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=2bjs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bjs OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2bjs RCSB], [http://www.ebi.ac.uk/pdbsum/2bjs PDBsum]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bjs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bjs OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2bjs RCSB], [http://www.ebi.ac.uk/pdbsum/2bjs PDBsum]</span></td></tr>
	<table>		</table>
			== Function ==
			[[http://www.uniprot.org/uniprot/IPNS_EMENI IPNS_EMENI]] Removes, in the presence of oxygen, 4 hydrogen atoms from delta-L-(alpha-aminoadipyl)-L-cysteinyl-D-valine (ACV) to form the azetidinone and thiazolidine rings of isopenicillin.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 25:		Line 27:
	[[Category: Emericella nidulans]]		[[Category: Emericella nidulans]]
	[[Category: Isopenicillin-N synthase]]		[[Category: Isopenicillin-N synthase]]
	[[Category: Burzlaff, N I.]]		[[Category: Burzlaff, N I]]
	[[Category: Clifton, I J.]]		[[Category: Clifton, I J]]
	[[Category: Mcneill, L A.]]		[[Category: Mcneill, L A]]
	[[Category: Sami, M.]]		[[Category: Sami, M]]
	[[Category: Antibiotic biosynthesis]]		[[Category: Antibiotic biosynthesis]]
	[[Category: B-lactam antibiotic]]		[[Category: B-lactam antibiotic]]

OCA at 01:34, 30 September 2014

2014-09-30T01:34:15Z

← Older revision		Revision as of 01:34, 30 September 2014
Line 1:		Line 1:
	~~{{STRUCTURE_2bjs\| PDB=2bjs \| SCENE= }}~~		==ISOPENICILLIN N SYNTHASE C-TERMINAL TRUNCATION MUTANT==
	===ISOPENICILLIN N SYNTHASE C-TERMINAL TRUNCATION MUTANT===		<StructureSection load='2bjs' size='340' side='right' caption='[[2bjs]], [[Resolution\|resolution]] 1.30Å' scene=''>
			== Structural highlights ==
	==~~About this Structure~~==		<table><tr><td colspan='2'>[[2bjs]] 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=2BJS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2BJS FirstGlance]. <br>
	[[2bjs]] 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=2BJS OCA].		</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACV:L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE'>ACV</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=MEE:METHANETHIOL'>MEE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
			<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bk0\|1bk0]], [[1blz\|1blz]], [[1hb1\|1hb1]], [[1hb2\|1hb2]], [[1hb3\|1hb3]], [[1hb4\|1hb4]], [[1ips\|1ips]], [[1obn\|1obn]], [[1oc1\|1oc1]], [[1odm\|1odm]], [[1odn\|1odn]], [[1qiq\|1qiq]], [[1qje\|1qje]], [[1qjf\|1qjf]], [[1uzw\|1uzw]], [[1w03\|1w03]], [[1w04\|1w04]], [[1w05\|1w05]], [[1w06\|1w06]], [[1w3v\|1w3v]], [[1w3x\|1w3x]], [[2bu9\|2bu9]]</td></tr>
			<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>
			<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=2bjs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bjs OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2bjs RCSB], [http://www.ebi.ac.uk/pdbsum/2bjs PDBsum]</span></td></tr>
			<table>
			== 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/bj/2bjs_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/chain_selection.php?pdb_ID=2ata ConSurf].
			<div style="clear:both"></div>

	==See Also==		==See Also==
	*[[Isopenicillin N synthase\|Isopenicillin N synthase]]		*[[Isopenicillin N synthase\|Isopenicillin N synthase]]
			__TOC__
			</StructureSection>
	[[Category: Emericella nidulans]]		[[Category: Emericella nidulans]]
	[[Category: Isopenicillin-N synthase]]		[[Category: Isopenicillin-N synthase]]

OCA at 10:15, 11 March 2013

2013-03-11T10:15:20Z

← Older revision		Revision as of 10:15, 11 March 2013
Line 1:		Line 1:
	~~[[Image:2bjs.png\|left\|200px]]~~

	{{STRUCTURE_2bjs\| PDB=2bjs \| SCENE= }}		{{STRUCTURE_2bjs\| PDB=2bjs \| SCENE= }}

	===ISOPENICILLIN N SYNTHASE C-TERMINAL TRUNCATION MUTANT===		===ISOPENICILLIN N SYNTHASE C-TERMINAL TRUNCATION MUTANT===


	==About this Structure==		==About this Structure==

OCA: Protected "2bjs" [edit=sysop:move=sysop]

2013-01-06T10:48:37Z

Protected "2bjs" [edit=sysop:move=sysop]

← Older revision	Revision as of 10:48, 6 January 2013
(No difference)