4bb3 - Revision history

OCA at 11:47, 20 December 2023

2023-12-20T11:47:03Z

← Older revision		Revision as of 11:47, 20 December 2023
Line 3:		Line 3:
	<StructureSection load='4bb3' size='340' side='right'caption='[[4bb3]], [[Resolution\|resolution]] 1.40Å' scene=''>		<StructureSection load='4bb3' size='340' side='right'caption='[[4bb3]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4bb3]] 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=4BB3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BB3 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4bb3]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_nidulans_FGSC_A4 Aspergillus nidulans FGSC A4]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BB3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BB3 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=KKA:(2S)-2-AZANYL-6-OXIDANYLIDENE-6-[[(2S)-1-OXIDANYL-1-OXIDANYLIDENE-4-SULFANYL-BUTAN-2-YL]AMINO]HEXANOIC+ACID'>KKA</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]] 1.4Å</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='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=KKA:(2S)-2-AZANYL-6-OXIDANYLIDENE-6-[[(2S)-1-OXIDANYL-1-OXIDANYLIDENE-4-SULFANYL-BUTAN-2-YL]AMINO]HEXANOIC+ACID'>KKA</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=4bb3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bb3 OCA], [https://pdbe.org/4bb3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bb3 RCSB], [https://www.ebi.ac.uk/pdbsum/4bb3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bb3 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=4bb3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bb3 OCA], [https://pdbe.org/4bb3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bb3 RCSB], [https://www.ebi.ac.uk/pdbsum/4bb3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bb3 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>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 26:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Aspergillus nidulans]]		[[Category: Aspergillus nidulans FGSC A4]]
	~~[[Category: Isopenicillin-N synthase~~]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Clifton~~, I J~~]]		[[Category: Clifton IJ]]
	[[Category: Daruzzaman, A]]		[[Category: Daruzzaman A]]
	[[Category: Rutledge~~, P J]]~~		[[Category: Rutledge PJ]]
	~~[[Category: Antibiotic biosynthesis]]~~
	~~[[Category: B-lactam antibiotic]]~~
	~~[[Category: Oxidoreductase]]~~
	~~[[Category: Oxygenase]]~~
	~~[[Category: Penicillin biosynthesis~~]]

OCA at 07:06, 31 August 2022

2022-08-31T07:06:27Z

← Older revision		Revision as of 07:06, 31 August 2022
Line 3:		Line 3:
	<StructureSection load='4bb3' size='340' side='right'caption='[[4bb3]], [[Resolution\|resolution]] 1.40Å' scene=''>		<StructureSection load='4bb3' size='340' side='right'caption='[[4bb3]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4bb3]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Aspergillus_nidulans Aspergillus nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BB3 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4BB3 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4bb3]] 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=4BB3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BB3 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=KKA:(2S)-2-AZANYL-6-OXIDANYLIDENE-6-[[(2S)-1-OXIDANYL-1-OXIDANYLIDENE-4-SULFANYL-BUTAN-2-YL]AMINO]HEXANOIC+ACID'>KKA</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=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=KKA:(2S)-2-AZANYL-6-OXIDANYLIDENE-6-[[(2S)-1-OXIDANYL-1-OXIDANYLIDENE-4-SULFANYL-BUTAN-2-YL]AMINO]HEXANOIC+ACID'>KKA</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'>[~~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=4bb3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bb3 OCA], [~~http~~://pdbe.org/4bb3 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4bb3 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4bb3 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4bb3 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=4bb3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bb3 OCA], [https://pdbe.org/4bb3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bb3 RCSB], [https://www.ebi.ac.uk/pdbsum/4bb3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bb3 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.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 16:38, 28 August 2019

2019-08-28T16:38:09Z

← Older revision		Revision as of 16:38, 28 August 2019
Line 1:		Line 1:

	==Isopenicillin N synthase with the dipeptide substrate analogue AhC==		==Isopenicillin N synthase with the dipeptide substrate analogue AhC==
	<StructureSection load='4bb3' size='340' side='right' caption='[[4bb3]], [[Resolution\|resolution]] 1.40Å' scene=''>		<StructureSection load='4bb3' size='340' side='right'caption='[[4bb3]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4bb3]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspergillus_nidulans Aspergillus nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BB3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BB3 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4bb3]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspergillus_nidulans Aspergillus nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BB3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BB3 FirstGlance]. <br>
Line 28:		Line 28:
	[[Category: Aspergillus nidulans]]		[[Category: Aspergillus nidulans]]
	[[Category: Isopenicillin-N synthase]]		[[Category: Isopenicillin-N synthase]]
			[[Category: Large Structures]]
	[[Category: Clifton, I J]]		[[Category: Clifton, I J]]
	[[Category: Daruzzaman, A]]		[[Category: Daruzzaman, A]]

OCA at 18:30, 4 August 2016

2016-08-04T18:30:35Z

← Older revision		Revision as of 18:30, 4 August 2016
Line 1:		Line 1:

	==Isopenicillin N synthase with the dipeptide substrate analogue AhC==		==Isopenicillin N synthase with the dipeptide substrate analogue AhC==
	<StructureSection load='4bb3' size='340' side='right' caption='[[4bb3]], [[Resolution\|resolution]] 1.40Å' scene=''>		<StructureSection load='4bb3' size='340' side='right' caption='[[4bb3]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4bb3]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Aspergillus_nidulans_fgsc_a4~~ Aspergillus nidulans ~~fgsc a4~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BB3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BB3 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4bb3]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspergillus_nidulans Aspergillus nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BB3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BB3 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=KKA:(2S)-2-AZANYL-6-OXIDANYLIDENE-6-[[(2S)-1-OXIDANYL-1-OXIDANYLIDENE-4-SULFANYL-BUTAN-2-YL]AMINO]HEXANOIC+ACID'>KKA</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=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=KKA:(2S)-2-AZANYL-6-OXIDANYLIDENE-6-[[(2S)-1-OXIDANYL-1-OXIDANYLIDENE-4-SULFANYL-BUTAN-2-YL]AMINO]HEXANOIC+ACID'>KKA</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'>[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=4bb3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bb3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bb3 RCSB], [http://www.ebi.ac.uk/pdbsum/4bb3 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=4bb3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bb3 OCA], [http://pdbe.org/4bb3 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4bb3 RCSB], [http://www.ebi.ac.uk/pdbsum/4bb3 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4bb3 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 18:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
			<div class="pdbe-citations 4bb3" style="background-color:#fffaf0;"></div>

			==See Also==
			*[[Isopenicillin N synthase\|Isopenicillin N synthase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Aspergillus nidulans ~~fgsc a4~~]]		[[Category: Aspergillus nidulans]]
	[[Category: Isopenicillin-N synthase]]		[[Category: Isopenicillin-N synthase]]
	[[Category: Clifton, I J]]		[[Category: Clifton, I J]]

OCA at 18:13, 24 December 2014

2014-12-24T18:13:37Z

← Older revision		Revision as of 18:13, 24 December 2014
Line 7:		Line 7:
	<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=4bb3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bb3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bb3 RCSB], [http://www.ebi.ac.uk/pdbsum/4bb3 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=4bb3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bb3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bb3 RCSB], [http://www.ebi.ac.uk/pdbsum/4bb3 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.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 09:36, 21 December 2014

2014-12-21T09:36:13Z

← Older revision		Revision as of 09:36, 21 December 2014
Line 1:		Line 1:
	~~{{STRUCTURE_4bb3~~\| ~~PDB~~=4bb3 \| ~~SCENE~~= }}		==Isopenicillin N synthase with the dipeptide substrate analogue AhC==
	===Isopenicillin N synthase with ~~the dipeptide substrate analogue AhC~~===		<StructureSection load='4bb3' size='340' side='right' caption='[[4bb3]], [[Resolution\|resolution]] 1.40Å' scene=''>
	~~{{ABSTRACT_PUBMED_23262315}}~~		== Structural highlights ==
			<table><tr><td colspan='2'>[[4bb3]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspergillus_nidulans_fgsc_a4 Aspergillus nidulans fgsc a4]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BB3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BB3 FirstGlance]. <br>
			</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=KKA:(2S)-2-AZANYL-6-OXIDANYLIDENE-6-[[(2S)-1-OXIDANYL-1-OXIDANYLIDENE-4-SULFANYL-BUTAN-2-YL]AMINO]HEXANOIC+ACID'>KKA</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'>[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=4bb3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bb3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bb3 RCSB], [http://www.ebi.ac.uk/pdbsum/4bb3 PDBsum]</span></td></tr>
			</table>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Isopenicillin N synthase (IPNS) converts its linear tripeptide substrate delta-L-alpha-aminoadipoyl-L-cysteinyl-D-valine (ACV) to bicyclic isopenicillin N (IPN), the key step in penicillin biosynthesis. Solution-phase incubation experiments have shown that IPNS will accept and oxidise a diverse array of substrate analogues, including tripeptides that incorporate L-homocysteine as their second residue, and tripeptides with truncated side-chains at the third amino acid such as delta-L-alpha-aminoadipoyl-L-cysteinyl-D-alpha-aminobutyrate (ACAb), delta-L-alpha-aminoadipoyl-L-cysteinyl-D-alanine (ACA) and delta-L-alpha-aminoadipoyl-L-cysteinyl-glycine (ACG). However IPNS does not react with dipeptide substrates. To probe this selectivity we have crystallised the enzyme with the dipeptide delta-L-alpha-aminoadipoyl-L-homocysteine (AhC) and solved a crystal structure for the IPNS:Fe(II):AhC complex to 1.40 A resolution. This structure reveals an unexpected mode of peptide binding at the IPNS active site, in which the homocysteinyl thiolate does not bind to iron. Instead the primary mode of binding sees the homocysteinyl carboxylate coordinated to the metal, while its side-chain is oriented into the region of the active site normally occupied by the benzyl group of protein residue Phe211.

	~~==Function==~~		The crystal structure of isopenicillin N synthase with a dipeptide substrate analogue.,Daruzzaman A, Clifton IJ, Adlington RM, Baldwin JE, Rutledge PJ Arch Biochem Biophys. 2013 Feb 1;530(1):48-53. doi: 10.1016/j.abb.2012.12.012., Epub 2012 Dec 19. PMID:23262315<ref>PMID:23262315</ref>
	~~[[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~~.

	==~~About this Structure~~==		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	~~[[4bb3]] is a 1 chain structure with sequence from [http:~~//~~en.wikipedia.org/wiki/Aspergillus_nidulans_fgsc_a4 Aspergillus nidulans fgsc a4]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BB3 OCA].~~		</div>
			== References ==
			<references/>
			__TOC__
			</StructureSection>
	[[Category: Aspergillus nidulans fgsc a4]]		[[Category: Aspergillus nidulans fgsc a4]]
	[[Category: Isopenicillin-N synthase]]		[[Category: Isopenicillin-N synthase]]
	[[Category: Clifton, I J.]]		[[Category: Clifton, I J]]
	[[Category: Daruzzaman, A.]]		[[Category: Daruzzaman, A]]
	[[Category: Rutledge, P J.]]		[[Category: Rutledge, P J]]
	[[Category: Antibiotic biosynthesis]]		[[Category: Antibiotic biosynthesis]]
	[[Category: B-lactam antibiotic]]		[[Category: B-lactam antibiotic]]

OCA at 20:23, 17 April 2013

2013-04-17T20:23:14Z

← Older revision		Revision as of 20:23, 17 April 2013
Line 1:		Line 1:
	~~'''Unreleased structure'''~~		{{STRUCTURE_4bb3\| PDB=4bb3 \| SCENE= }}
			===Isopenicillin N synthase with the dipeptide substrate analogue AhC===
			{{ABSTRACT_PUBMED_23262315}}

	~~The entry 4bb3 is ON HOLD until Paper Publication~~		==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.

	~~Authors~~: ~~Daruzzaman, A~~., Clifton, I.J., Rutledge, P.J.		==About this Structure==
			[[4bb3]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspergillus_nidulans_fgsc_a4 Aspergillus nidulans fgsc a4]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BB3 OCA].
	~~Description~~: ~~Isopenicillin N synthase with the dipeptide substrate analogue AhC~~		[[Category: Aspergillus nidulans fgsc a4]]
			[[Category: Isopenicillin-N synthase]]
			[[Category: Clifton, I J.]]
			[[Category: Daruzzaman, A.]]
			[[Category: Rutledge, P J.]]
			[[Category: Antibiotic biosynthesis]]
			[[Category: B-lactam antibiotic]]
			[[Category: Oxidoreductase]]
			[[Category: Oxygenase]]
			[[Category: Penicillin biosynthesis]]

OCA at 12:17, 6 February 2013

2013-02-06T12:17:18Z

← Older revision		Revision as of 12:17, 6 February 2013
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 4bb3 is ON HOLD		The entry 4bb3 is ON HOLD until Paper Publication

	Authors: Daruzzaman, A., Clifton, I.J., Rutledge, P.J.		Authors: Daruzzaman, A., Clifton, I.J., Rutledge, P.J.

	Description: Isopenicillin N synthase with the dipeptide substrate analogue AhC		Description: Isopenicillin N synthase with the dipeptide substrate analogue AhC

OCA at 05:36, 3 October 2012

2012-10-03T05:36:15Z

← Older revision		Revision as of 05:36, 3 October 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 4bb3 is ON HOLD ~~until sometime in the future~~		The entry 4bb3 is ON HOLD

	Authors: Daruzzaman, A., Clifton, I.J., Rutledge, P.J.		Authors: Daruzzaman, A., Clifton, I.J., Rutledge, P.J.

	Description: Isopenicillin N synthase with the dipeptide substrate analogue AhC		Description: Isopenicillin N synthase with the dipeptide substrate analogue AhC

OCA: Protected "4bb3" [edit=sysop:move=sysop]

2012-09-26T19:59:58Z

Protected "4bb3" [edit=sysop:move=sysop]

← Older revision	Revision as of 19:59, 26 September 2012
(No difference)