2vbb - Revision history

OCA at 15:13, 13 December 2023

2023-12-13T15:13:34Z

← Older revision		Revision as of 15:13, 13 December 2023
Line 3:		Line 3:
	<StructureSection load='2vbb' size='340' side='right'caption='[[2vbb]], [[Resolution\|resolution]] 1.40Å' scene=''>		<StructureSection load='2vbb' size='340' side='right'caption='[[2vbb]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2vbb]] 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=2VBB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VBB FirstGlance]. <br>		<table><tr><td colspan='2'>[[2vbb]] 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=2VBB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VBB FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FE2:FE+(II)+ION'>FE2</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VAZ:N^6^-{(1R)-2-{[(1S,2R)-1-CARBOXY-2-HYDROXY-2-(METHYLSULFANYL)ETHYL]OXY}-1-[(OXIDOSULFANYL)METHYL]-2-OXOETHYL}-6-OXO-L-LYSINE'>VAZ</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='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1hb4\|1hb4]], [[1blz\|1blz]], [[1oc1\|1oc1]], [[1w3v\|1w3v]], [[1uzw\|1uzw]], [[1ips\|1ips]], [[1bk0\|1bk0]], [[1w3x\|1w3x]], [[2vbp\|2vbp]], [[1hb3\|1hb3]], [[1w04\|1w04]], [[1qiq\|1qiq]], [[1qjf\|1qjf]], [[2bu9\|2bu9]], [[1obn\|1obn]], [[1odm\|1odm]], [[2vbd\|2vbd]], [[2vcm\|2vcm]], [[1odn\|1odn]], [[1hb2\|1hb2]], [[1qje\|1qje]], [[2vau\|2vau]], [[2ve1\|2ve1]], [[1w03\|1w03]], [[1w06\|1w06]], [[1hb1\|1hb1]], [[2ivj\|2ivj]], [[1w05\|1w05]], [[2jb4\|2jb4]], [[2ivi\|2ivi]], [[2bjs\|2bjs]]</div></td></tr>		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FE2:FE+(II)+ION'>FE2</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VAZ:N^6^-{(1R)-2-{[(1S,2R)-1-CARBOXY-2-HYDROXY-2-(METHYLSULFANYL)ETHYL]OXY}-1-[(OXIDOSULFANYL)METHYL]-2-OXOETHYL}-6-OXO-L-LYSINE'>VAZ</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=2vbb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vbb OCA], [https://pdbe.org/2vbb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2vbb RCSB], [https://www.ebi.ac.uk/pdbsum/2vbb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2vbb 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=2vbb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vbb OCA], [https://pdbe.org/2vbb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2vbb RCSB], [https://www.ebi.ac.uk/pdbsum/2vbb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2vbb 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]]
Line 37:		Line 36:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: A. nidulans]]		[[Category: Aspergillus nidulans]]
	~~[[Category: Isopenicillin-N synthase~~]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Adlington~~, R M~~]]		[[Category: Adlington RM]]
	[[Category: Baldwin~~, J E~~]]		[[Category: Baldwin JE]]
	[[Category: Clifton~~, I J~~]]		[[Category: Clifton IJ]]
	[[Category: Ge, W]]		[[Category: Ge W]]
	[[Category: Rutledge~~, P J]]~~		[[Category: Rutledge PJ]]
	~~[[Category: Antibiotic biosynthesis]]~~
	~~[[Category: B-lactam antibiotic]]~~
	~~[[Category: Iron]]~~
	~~[[Category: Metal-binding]]~~
	~~[[Category: Monocyclic intermediate]]~~
	~~[[Category: Oxidoreductase]]~~
	~~[[Category: Oxygenase]]~~
	~~[[Category: Penicillin biosynthesis]]~~
	~~[[Category: Vitamin c~~]]

OCA at 12:43, 23 March 2022

2022-03-23T12:43:20Z

← Older revision		Revision as of 12:43, 23 March 2022
Line 3:		Line 3:
	<StructureSection load='2vbb' size='340' side='right'caption='[[2vbb]], [[Resolution\|resolution]] 1.40Å' scene=''>		<StructureSection load='2vbb' size='340' side='right'caption='[[2vbb]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2vbb]] 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=2VBB OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=2VBB FirstGlance]. <br>		<table><tr><td colspan='2'>[[2vbb]] 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=2VBB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VBB FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FE2:FE+(II)+ION'>FE2</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VAZ:N^6^-{(1R)-2-{[(1S,2R)-1-CARBOXY-2-HYDROXY-2-(METHYLSULFANYL)ETHYL]OXY}-1-[(OXIDOSULFANYL)METHYL]-2-OXOETHYL}-6-OXO-L-LYSINE'>VAZ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FE2:FE+(II)+ION'>FE2</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VAZ:N^6^-{(1R)-2-{[(1S,2R)-1-CARBOXY-2-HYDROXY-2-(METHYLSULFANYL)ETHYL]OXY}-1-[(OXIDOSULFANYL)METHYL]-2-OXOETHYL}-6-OXO-L-LYSINE'>VAZ</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hb4\|1hb4]], [[1blz\|1blz]], [[1oc1\|1oc1]], [[1w3v\|1w3v]], [[1uzw\|1uzw]], [[1ips\|1ips]], [[1bk0\|1bk0]], [[1w3x\|1w3x]], [[2vbp\|2vbp]], [[1hb3\|1hb3]], [[1w04\|1w04]], [[1qiq\|1qiq]], [[1qjf\|1qjf]], [[2bu9\|2bu9]], [[1obn\|1obn]], [[1odm\|1odm]], [[2vbd\|2vbd]], [[2vcm\|2vcm]], [[1odn\|1odn]], [[1hb2\|1hb2]], [[1qje\|1qje]], [[2vau\|2vau]], [[2ve1\|2ve1]], [[1w03\|1w03]], [[1w06\|1w06]], [[1hb1\|1hb1]], [[2ivj\|2ivj]], [[1w05\|1w05]], [[2jb4\|2jb4]], [[2ivi\|2ivi]], [[2bjs\|2bjs]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1hb4\|1hb4]], [[1blz\|1blz]], [[1oc1\|1oc1]], [[1w3v\|1w3v]], [[1uzw\|1uzw]], [[1ips\|1ips]], [[1bk0\|1bk0]], [[1w3x\|1w3x]], [[2vbp\|2vbp]], [[1hb3\|1hb3]], [[1w04\|1w04]], [[1qiq\|1qiq]], [[1qjf\|1qjf]], [[2bu9\|2bu9]], [[1obn\|1obn]], [[1odm\|1odm]], [[2vbd\|2vbd]], [[2vcm\|2vcm]], [[1odn\|1odn]], [[1hb2\|1hb2]], [[1qje\|1qje]], [[2vau\|2vau]], [[2ve1\|2ve1]], [[1w03\|1w03]], [[1w06\|1w06]], [[1hb1\|1hb1]], [[2ivj\|2ivj]], [[1w05\|1w05]], [[2jb4\|2jb4]], [[2ivi\|2ivi]], [[2bjs\|2bjs]]</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~~://proteopedia.org/fgij/fg.htm?mol=2vbb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vbb OCA], [~~http~~://pdbe.org/2vbb PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2vbb RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2vbb PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2vbb 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=2vbb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vbb OCA], [https://pdbe.org/2vbb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2vbb RCSB], [https://www.ebi.ac.uk/pdbsum/2vbb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2vbb 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 11:25, 17 June 2020

2020-06-17T11:25:50Z

← Older revision		Revision as of 11:25, 17 June 2020
Line 1:		Line 1:

	==Isopenicillin N synthase with substrate analogue ACOMP (35minutes oxygen exposure)==		==Isopenicillin N synthase with substrate analogue ACOMP (35minutes oxygen exposure)==
	<StructureSection load='2vbb' size='340' side='right' caption='[[2vbb]], [[Resolution\|resolution]] 1.40Å' scene=''>		<StructureSection load='2vbb' size='340' side='right'caption='[[2vbb]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2vbb]] 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=2VBB OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2VBB FirstGlance]. <br>		<table><tr><td colspan='2'>[[2vbb]] 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=2VBB OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2VBB FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FE2:FE+(II)+ION'>FE2</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VAZ:N^6^-{(1R)-2-{[(1S,2R)-1-CARBOXY-2-HYDROXY-2-(METHYLSULFANYL)ETHYL]OXY}-1-[(OXIDOSULFANYL)METHYL]-2-OXOETHYL}-6-OXO-L-LYSINE'>VAZ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FE2:FE+(II)+ION'>FE2</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VAZ:N^6^-{(1R)-2-{[(1S,2R)-1-CARBOXY-2-HYDROXY-2-(METHYLSULFANYL)ETHYL]OXY}-1-[(OXIDOSULFANYL)METHYL]-2-OXOETHYL}-6-OXO-L-LYSINE'>VAZ</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hb4\|1hb4]], [[1blz\|1blz]], [[1oc1\|1oc1]], [[1w3v\|1w3v]], [[1uzw\|1uzw]], [[1ips\|1ips]], [[1bk0\|1bk0]], [[1w3x\|1w3x]], [[2vbp\|2vbp]], [[1hb3\|1hb3]], [[1w04\|1w04]], [[1qiq\|1qiq]], [[1qjf\|1qjf]], [[2bu9\|2bu9]], [[1obn\|1obn]], [[1odm\|1odm]], [[2vbd\|2vbd]], [[2vcm\|2vcm]], [[1odn\|1odn]], [[1hb2\|1hb2]], [[1qje\|1qje]], [[2vau\|2vau]], [[2ve1\|2ve1]], [[1w03\|1w03]], [[1w06\|1w06]], [[1hb1\|1hb1]], [[2ivj\|2ivj]], [[1w05\|1w05]], [[2jb4\|2jb4]], [[2ivi\|2ivi]], [[2bjs\|2bjs]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hb4\|1hb4]], [[1blz\|1blz]], [[1oc1\|1oc1]], [[1w3v\|1w3v]], [[1uzw\|1uzw]], [[1ips\|1ips]], [[1bk0\|1bk0]], [[1w3x\|1w3x]], [[2vbp\|2vbp]], [[1hb3\|1hb3]], [[1w04\|1w04]], [[1qiq\|1qiq]], [[1qjf\|1qjf]], [[2bu9\|2bu9]], [[1obn\|1obn]], [[1odm\|1odm]], [[2vbd\|2vbd]], [[2vcm\|2vcm]], [[1odn\|1odn]], [[1hb2\|1hb2]], [[1qje\|1qje]], [[2vau\|2vau]], [[2ve1\|2ve1]], [[1w03\|1w03]], [[1w06\|1w06]], [[1hb1\|1hb1]], [[2ivj\|2ivj]], [[1w05\|1w05]], [[2jb4\|2jb4]], [[2ivi\|2ivi]], [[2bjs\|2bjs]]</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=2vbb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vbb OCA], [http://pdbe.org/2vbb PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vbb RCSB], [http://www.ebi.ac.uk/pdbsum/2vbb PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2vbb ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=2vbb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vbb OCA], [http://pdbe.org/2vbb PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vbb RCSB], [http://www.ebi.ac.uk/pdbsum/2vbb PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2vbb ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 39:		Line 39:
	[[Category: A. nidulans]]		[[Category: A. nidulans]]
	[[Category: Isopenicillin-N synthase]]		[[Category: Isopenicillin-N synthase]]
			[[Category: Large Structures]]
	[[Category: Adlington, R M]]		[[Category: Adlington, R M]]
	[[Category: Baldwin, J E]]		[[Category: Baldwin, J E]]

OCA at 08:39, 12 September 2018

2018-09-12T08:39:58Z

← Older revision		Revision as of 08:39, 12 September 2018
Line 1:		Line 1:
	==~~ISOPENICILLIN~~ N ~~SYNTHASE WITH SUBSTRATE ANALOGUE~~ ACOMP (~~35MINUTES OXYGEN EXPOSURE~~)==
			==Isopenicillin N synthase with substrate analogue ACOMP (35minutes oxygen exposure)==
	<StructureSection load='2vbb' size='340' side='right' caption='[[2vbb]], [[Resolution\|resolution]] 1.40Å' scene=''>		<StructureSection load='2vbb' size='340' side='right' caption='[[2vbb]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hb4\|1hb4]], [[1blz\|1blz]], [[1oc1\|1oc1]], [[1w3v\|1w3v]], [[1uzw\|1uzw]], [[1ips\|1ips]], [[1bk0\|1bk0]], [[1w3x\|1w3x]], [[2vbp\|2vbp]], [[1hb3\|1hb3]], [[1w04\|1w04]], [[1qiq\|1qiq]], [[1qjf\|1qjf]], [[2bu9\|2bu9]], [[1obn\|1obn]], [[1odm\|1odm]], [[2vbd\|2vbd]], [[2vcm\|2vcm]], [[1odn\|1odn]], [[1hb2\|1hb2]], [[1qje\|1qje]], [[2vau\|2vau]], [[2ve1\|2ve1]], [[1w03\|1w03]], [[1w06\|1w06]], [[1hb1\|1hb1]], [[2ivj\|2ivj]], [[1w05\|1w05]], [[2jb4\|2jb4]], [[2ivi\|2ivi]], [[2bjs\|2bjs]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hb4\|1hb4]], [[1blz\|1blz]], [[1oc1\|1oc1]], [[1w3v\|1w3v]], [[1uzw\|1uzw]], [[1ips\|1ips]], [[1bk0\|1bk0]], [[1w3x\|1w3x]], [[2vbp\|2vbp]], [[1hb3\|1hb3]], [[1w04\|1w04]], [[1qiq\|1qiq]], [[1qjf\|1qjf]], [[2bu9\|2bu9]], [[1obn\|1obn]], [[1odm\|1odm]], [[2vbd\|2vbd]], [[2vcm\|2vcm]], [[1odn\|1odn]], [[1hb2\|1hb2]], [[1qje\|1qje]], [[2vau\|2vau]], [[2ve1\|2ve1]], [[1w03\|1w03]], [[1w06\|1w06]], [[1hb1\|1hb1]], [[2ivj\|2ivj]], [[1w05\|1w05]], [[2jb4\|2jb4]], [[2ivi\|2ivi]], [[2bjs\|2bjs]]</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=2vbb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vbb OCA], [http://pdbe.org/2vbb PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vbb RCSB], [http://www.ebi.ac.uk/pdbsum/2vbb 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=2vbb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vbb OCA], [http://pdbe.org/2vbb PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vbb RCSB], [http://www.ebi.ac.uk/pdbsum/2vbb PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2vbb ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 14:		Line 15:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vb/2vbb_consurf.spt"</scriptWhenChecked>		<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vb/2vbb_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>

OCA at 13:21, 7 February 2016

2016-02-07T13:21:49Z

← Older revision		Revision as of 13:21, 7 February 2016
Line 2:		Line 2:
	<StructureSection load='2vbb' size='340' side='right' caption='[[2vbb]], [[Resolution\|resolution]] 1.40Å' scene=''>		<StructureSection load='2vbb' size='340' side='right' caption='[[2vbb]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2vbb]] 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=2VBB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VBB FirstGlance]. <br>		<table><tr><td colspan='2'>[[2vbb]] 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=2VBB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VBB FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FE2:FE+(II)+ION'>FE2</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VAZ:N^6^-{(1R)-2-{[(1S,2R)-1-CARBOXY-2-HYDROXY-2-(METHYLSULFANYL)ETHYL]OXY}-1-[(OXIDOSULFANYL)METHYL]-2-OXOETHYL}-6-OXO-L-LYSINE'>VAZ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FE2:FE+(II)+ION'>FE2</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VAZ:N^6^-{(1R)-2-{[(1S,2R)-1-CARBOXY-2-HYDROXY-2-(METHYLSULFANYL)ETHYL]OXY}-1-[(OXIDOSULFANYL)METHYL]-2-OXOETHYL}-6-OXO-L-LYSINE'>VAZ</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hb4\|1hb4]], [[1blz\|1blz]], [[1oc1\|1oc1]], [[1w3v\|1w3v]], [[1uzw\|1uzw]], [[1ips\|1ips]], [[1bk0\|1bk0]], [[1w3x\|1w3x]], [[2vbp\|2vbp]], [[1hb3\|1hb3]], [[1w04\|1w04]], [[1qiq\|1qiq]], [[1qjf\|1qjf]], [[2bu9\|2bu9]], [[1obn\|1obn]], [[1odm\|1odm]], [[2vbd\|2vbd]], [[2vcm\|2vcm]], [[1odn\|1odn]], [[1hb2\|1hb2]], [[1qje\|1qje]], [[2vau\|2vau]], [[2ve1\|2ve1]], [[1w03\|1w03]], [[1w06\|1w06]], [[1hb1\|1hb1]], [[2ivj\|2ivj]], [[1w05\|1w05]], [[2jb4\|2jb4]], [[2ivi\|2ivi]], [[2bjs\|2bjs]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hb4\|1hb4]], [[1blz\|1blz]], [[1oc1\|1oc1]], [[1w3v\|1w3v]], [[1uzw\|1uzw]], [[1ips\|1ips]], [[1bk0\|1bk0]], [[1w3x\|1w3x]], [[2vbp\|2vbp]], [[1hb3\|1hb3]], [[1w04\|1w04]], [[1qiq\|1qiq]], [[1qjf\|1qjf]], [[2bu9\|2bu9]], [[1obn\|1obn]], [[1odm\|1odm]], [[2vbd\|2vbd]], [[2vcm\|2vcm]], [[1odn\|1odn]], [[1hb2\|1hb2]], [[1qje\|1qje]], [[2vau\|2vau]], [[2ve1\|2ve1]], [[1w03\|1w03]], [[1w06\|1w06]], [[1hb1\|1hb1]], [[2ivj\|2ivj]], [[1w05\|1w05]], [[2jb4\|2jb4]], [[2ivi\|2ivi]], [[2bjs\|2bjs]]</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=2vbb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vbb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vbb RCSB], [http://www.ebi.ac.uk/pdbsum/2vbb 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=2vbb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vbb OCA], [http://pdbe.org/2vbb PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vbb RCSB], [http://www.ebi.ac.uk/pdbsum/2vbb PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 18:
	<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=2vbb ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 28:		Line 28:
	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 2vbb" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 35:		Line 36:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Emericella~~ nidulans]]		[[Category: A. nidulans]]
	[[Category: Isopenicillin-N synthase]]		[[Category: Isopenicillin-N synthase]]
	[[Category: Adlington, R M]]		[[Category: Adlington, R M]]

OCA at 15:23, 24 December 2014

2014-12-24T15:23:16Z

← Older revision		Revision as of 15:23, 24 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2vbb]] 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=2VBB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VBB FirstGlance]. <br>		<table><tr><td colspan='2'>[[2vbb]] 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=2VBB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VBB FirstGlance]. <br>
	</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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VAZ:N^6^-{(1R)-2-{[(1S,2R)-1-CARBOXY-2-HYDROXY-2-(METHYLSULFANYL)ETHYL]OXY}-1-[(OXIDOSULFANYL)METHYL]-2-OXOETHYL}-6-OXO-L-LYSINE'>VAZ</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FE2:FE+(II)+ION'>FE2</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VAZ:N^6^-{(1R)-2-{[(1S,2R)-1-CARBOXY-2-HYDROXY-2-(METHYLSULFANYL)ETHYL]OXY}-1-[(OXIDOSULFANYL)METHYL]-2-OXOETHYL}-6-OXO-L-LYSINE'>VAZ</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hb4\|1hb4]], [[1blz\|1blz]], [[1oc1\|1oc1]], [[1w3v\|1w3v]], [[1uzw\|1uzw]], [[1ips\|1ips]], [[1bk0\|1bk0]], [[1w3x\|1w3x]], [[2vbp\|2vbp]], [[1hb3\|1hb3]], [[1w04\|1w04]], [[1qiq\|1qiq]], [[1qjf\|1qjf]], [[2bu9\|2bu9]], [[1obn\|1obn]], [[1odm\|1odm]], [[2vbd\|2vbd]], [[2vcm\|2vcm]], [[1odn\|1odn]], [[1hb2\|1hb2]], [[1qje\|1qje]], [[2vau\|2vau]], [[2ve1\|2ve1]], [[1w03\|1w03]], [[1w06\|1w06]], [[1hb1\|1hb1]], [[2ivj\|2ivj]], [[1w05\|1w05]], [[2jb4\|2jb4]], [[2ivi\|2ivi]], [[2bjs\|2bjs]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hb4\|1hb4]], [[1blz\|1blz]], [[1oc1\|1oc1]], [[1w3v\|1w3v]], [[1uzw\|1uzw]], [[1ips\|1ips]], [[1bk0\|1bk0]], [[1w3x\|1w3x]], [[2vbp\|2vbp]], [[1hb3\|1hb3]], [[1w04\|1w04]], [[1qiq\|1qiq]], [[1qjf\|1qjf]], [[2bu9\|2bu9]], [[1obn\|1obn]], [[1odm\|1odm]], [[2vbd\|2vbd]], [[2vcm\|2vcm]], [[1odn\|1odn]], [[1hb2\|1hb2]], [[1qje\|1qje]], [[2vau\|2vau]], [[2ve1\|2ve1]], [[1w03\|1w03]], [[1w06\|1w06]], [[1hb1\|1hb1]], [[2ivj\|2ivj]], [[1w05\|1w05]], [[2jb4\|2jb4]], [[2ivi\|2ivi]], [[2bjs\|2bjs]]</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=2vbb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vbb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vbb RCSB], [http://www.ebi.ac.uk/pdbsum/2vbb 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=2vbb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vbb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vbb RCSB], [http://www.ebi.ac.uk/pdbsum/2vbb 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 35:		Line 37:
	[[Category: Emericella nidulans]]		[[Category: Emericella nidulans]]
	[[Category: Isopenicillin-N synthase]]		[[Category: Isopenicillin-N synthase]]
	[[Category: Adlington, R M.]]		[[Category: Adlington, R M]]
	[[Category: Baldwin, J E.]]		[[Category: Baldwin, J E]]
	[[Category: Clifton, I J.]]		[[Category: Clifton, I J]]
	[[Category: Ge, W.]]		[[Category: Ge, W]]
	[[Category: Rutledge, P J.]]		[[Category: Rutledge, P J]]
	[[Category: Antibiotic biosynthesis]]		[[Category: Antibiotic biosynthesis]]
	[[Category: B-lactam antibiotic]]		[[Category: B-lactam antibiotic]]

OCA at 02:06, 1 October 2014

2014-10-01T02:06:37Z

← Older revision		Revision as of 02:06, 1 October 2014
Line 1:		Line 1:
	~~{{STRUCTURE_2vbb\| PDB=2vbb \| SCENE= }}~~		==ISOPENICILLIN N SYNTHASE WITH SUBSTRATE ANALOGUE ACOMP (35MINUTES OXYGEN EXPOSURE)==
	===ISOPENICILLIN N SYNTHASE WITH SUBSTRATE ANALOGUE ACOMP (35MINUTES OXYGEN EXPOSURE)===		<StructureSection load='2vbb' size='340' side='right' caption='[[2vbb]], [[Resolution\|resolution]] 1.40Å' scene=''>
	{{~~ABSTRACT_PUBMED_18620394~~}}		== Structural highlights ==
			<table><tr><td colspan='2'>[[2vbb]] 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=2VBB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VBB FirstGlance]. <br>
			</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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VAZ:N^6^-{(1R)-2-{[(1S,2R)-1-CARBOXY-2-HYDROXY-2-(METHYLSULFANYL)ETHYL]OXY}-1-[(OXIDOSULFANYL)METHYL]-2-OXOETHYL}-6-OXO-L-LYSINE'>VAZ</scene><br>
			<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hb4\|1hb4]], [[1blz\|1blz]], [[1oc1\|1oc1]], [[1w3v\|1w3v]], [[1uzw\|1uzw]], [[1ips\|1ips]], [[1bk0\|1bk0]], [[1w3x\|1w3x]], [[2vbp\|2vbp]], [[1hb3\|1hb3]], [[1w04\|1w04]], [[1qiq\|1qiq]], [[1qjf\|1qjf]], [[2bu9\|2bu9]], [[1obn\|1obn]], [[1odm\|1odm]], [[2vbd\|2vbd]], [[2vcm\|2vcm]], [[1odn\|1odn]], [[1hb2\|1hb2]], [[1qje\|1qje]], [[2vau\|2vau]], [[2ve1\|2ve1]], [[1w03\|1w03]], [[1w06\|1w06]], [[1hb1\|1hb1]], [[2ivj\|2ivj]], [[1w05\|1w05]], [[2jb4\|2jb4]], [[2ivi\|2ivi]], [[2bjs\|2bjs]]</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=2vbb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vbb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vbb RCSB], [http://www.ebi.ac.uk/pdbsum/2vbb 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/vb/2vbb_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>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Isopenicillin N synthase (IPNS) is a nonheme iron oxidase that catalyzes the central step in the biosynthesis of beta-lactam antibiotics: oxidative cyclization of the linear tripeptide delta- l-alpha-aminoadipoyl- l-cysteinyl- d-valine (ACV) to isopenicillin N (IPN). The ACV analogue delta- l-alpha-aminoadipoyl- l-cysteine (1-( S)-carboxy-2-thiomethyl)ethyl ester (AC OmC) has been synthesized as a mechanistic probe of IPNS catalysis and crystallized with the enzyme. The crystal structure of the anaerobic IPNS/Fe(II)/AC OmC complex was determined to 1.80 A resolution, revealing a highly congested active site region. By exposing these anaerobically grown crystals to high-pressure oxygen gas, an unexpected sulfenate product has been observed, complexed to iron within the IPNS active site. A mechanism is proposed for formation of the sulfenate-iron complex, and it appears that AC OmC follows a different reaction pathway at the earliest stages of its reaction with IPNS. Thus it seems that oxygen (the cosubstrate) binds in a different site to that observed in previous studies with IPNS, displacing a water ligand from iron in the process. The iron-mediated conversion of metal-bound thiolate to sulfenate has not previously been observed in crystallographic studies with IPNS. This mode of reactivity is of particular interest when considered in the context of another family of nonheme iron enzymes, the nitrile hydratases, in which post-translational oxidation of two cysteine thiolates to sulfenic and sulfinic acids is essential for enzyme activity.

	~~==About this Structure==~~		Isopenicillin N Synthase Mediates Thiolate Oxidation to Sulfenate in a Depsipeptide Substrate Analogue: Implications for Oxygen Binding and a Link to Nitrile Hydratase?,Ge W, Clifton IJ, Stok JE, Adlington RM, Baldwin JE, Rutledge PJ J Am Chem Soc. 2008 Jul 12. PMID:18620394<ref>PMID:18620394</ref>
	~~[[2vbb]] 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=2VBB OCA].~~
			From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>

	==See Also==		==See Also==
	*[[Isopenicillin N synthase\|Isopenicillin N synthase]]		*[[Isopenicillin N synthase\|Isopenicillin N synthase]]
			== References ==
	==~~Reference~~==		<references/>
	<~~ref group="xtra">PMID:018620394<~~/~~ref~~><~~references group="xtra"~~/>		__TOC__
			</StructureSection>
	[[Category: Emericella nidulans]]		[[Category: Emericella nidulans]]
	[[Category: Isopenicillin-N synthase]]		[[Category: Isopenicillin-N synthase]]

OCA at 09:59, 11 March 2013

2013-03-11T09:59:09Z

← Older revision		Revision as of 09:59, 11 March 2013
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	~~[[Image:2vbb.png\|left\|200px]]~~

	{{STRUCTURE_2vbb\| PDB=2vbb \| SCENE= }}		{{STRUCTURE_2vbb\| PDB=2vbb \| SCENE= }}

	===ISOPENICILLIN N SYNTHASE WITH SUBSTRATE ANALOGUE ACOMP (35MINUTES OXYGEN EXPOSURE)===		===ISOPENICILLIN N SYNTHASE WITH SUBSTRATE ANALOGUE ACOMP (35MINUTES OXYGEN EXPOSURE)===

	{{ABSTRACT_PUBMED_18620394}}		{{ABSTRACT_PUBMED_18620394}}

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

2013-01-07T21:34:06Z

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

← Older revision	Revision as of 21:34, 7 January 2013
(No difference)

OCA at 21:34, 7 January 2013

2013-01-07T21:34:01Z

← Older revision		Revision as of 21:34, 7 January 2013
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	~~{{Seed}}~~
	[[Image:2vbb.png\|left\|200px]]		[[Image:2vbb.png\|left\|200px]]

	~~<!--~~
	~~The line below this paragraph, containing "STRUCTURE_2vbb", creates the "Structure Box" on the page.~~
	~~You may change the PDB parameter (which sets the PDB file loaded into the applet)~~
	~~or the SCENE parameter (which sets the initial scene displayed when the page is loaded),~~
	~~or leave the SCENE parameter empty for the default display.~~
	~~-->~~
	{{STRUCTURE_2vbb\| PDB=2vbb \| SCENE= }}		{{STRUCTURE_2vbb\| PDB=2vbb \| SCENE= }}

	===ISOPENICILLIN N SYNTHASE WITH SUBSTRATE ANALOGUE ACOMP (35MINUTES OXYGEN EXPOSURE)===		===ISOPENICILLIN N SYNTHASE WITH SUBSTRATE ANALOGUE ACOMP (35MINUTES OXYGEN EXPOSURE)===


	~~<!--~~
	~~The line below this paragraph, {{ABSTRACT_PUBMED_18620394}}, adds the Publication Abstract to the page~~
	~~(as it appears on PubMed at http://www.pubmed.gov), where 18620394 is the PubMed ID number.~~
	~~-->~~
	{{ABSTRACT_PUBMED_18620394}}		{{ABSTRACT_PUBMED_18620394}}

	==About this Structure==		==About this Structure==
	~~2VBB~~ is a 1 chain structure of 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=2VBB OCA].		[[2vbb]] 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=2VBB OCA].

			==See Also==
			*[[Isopenicillin N synthase\|Isopenicillin N synthase]]

	==Reference==		==Reference==
	<ref group="xtra">PMID:~~18620394~~</ref><references group="xtra"/>		<ref group="xtra">PMID:018620394</ref><references group="xtra"/>
	[[Category: Emericella nidulans]]		[[Category: Emericella nidulans]]
	[[Category: Isopenicillin-N synthase]]		[[Category: Isopenicillin-N synthase]]
Line 40:		Line 31:
	[[Category: Penicillin biosynthesis]]		[[Category: Penicillin biosynthesis]]
	[[Category: Vitamin c]]		[[Category: Vitamin c]]

	~~''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Feb 16 14:04:59 2009''~~