3qh5 - Revision history

OCA at 11:45, 14 March 2024

OCA — Thu, 14 Mar 2024 11:45:38 GMT

←Older revision		Revision as of 11:45, 14 March 2024
Line 10:		Line 10:
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/THER_BACTH THER_BACTH] Extracellular zinc metalloprotease.		[https://www.uniprot.org/uniprot/THER_BACTH THER_BACTH] Extracellular zinc metalloprotease.
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Protease mediated peptide synthesis (PMPS) was first described in the 1930s but remains underexploited today. In most PMPS, the reaction equilibrium is shifted toward synthesis by the aqueous insolubility of product generated. Substrates and proteases are selected by trial and error, yields are modest, and reaction times are slow. Once implemented, however, PMPS reactions can be simple, environmentally benign, and readily scalable to a commercial level. We examined the PMPS of a precursor of the artificial sweetener aspartame, a multiton peptide synthesis catalyzed by the enzyme thermolysin. X-ray structures of thermolysin in complex with aspartame substrates separately, and after PMPS in a crystal, rationalize the reaction's substrate preferences and reveal an unexpected form of substrate inhibition that explains its sluggishness. Structure guided optimization of this and other PMPS reactions could expand the economic viability of commercial peptides beyond current high-potency, low-volume therapeutics, with substantial green chemistry advantages.
-
-	Synthesis of Aspartame by Thermolysin: An X-ray Structural Study.,Birrane G, Bhyravbhatla B, Navia MA ACS Med Chem Lett. 2014 Apr 10;5(6):706-10. doi: 10.1021/ml500101z. eCollection, 2014 Jun 12. PMID:24944748<ref>PMID:24944748</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 3qh5" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Thermolysin 3D structures\|Thermolysin 3D structures]]		*[[Thermolysin 3D structures\|Thermolysin 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 08:13, 6 December 2023

OCA — Wed, 06 Dec 2023 08:13:26 GMT

←Older revision		Revision as of 08:13, 6 December 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3qh5]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QH5 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3qh5]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QH5 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0A9:METHYL+L-PHENYLALANINATE'>0A9</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NX6:N-[(BENZYLOXY)CARBONYL]-L-ASPARTIC+ACID'>NX6</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 1.5Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3qh1\|3qh1]], [[3qgo\|3qgo]], [[1thl\|1thl]], [[4tmn\|4tmn]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0A9:METHYL+L-PHENYLALANINATE'>0A9</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NX6:N-[(BENZYLOXY)CARBONYL]-L-ASPARTIC+ACID'>NX6</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Thermolysin Thermolysin], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.27 3.4.24.27] </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=3qh5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qh5 OCA], [https://pdbe.org/3qh5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qh5 RCSB], [https://www.ebi.ac.uk/pdbsum/3qh5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qh5 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=3qh5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qh5 OCA], [https://pdbe.org/3qh5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qh5 RCSB], [https://www.ebi.ac.uk/pdbsum/3qh5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qh5 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/THER_BACTH THER_BACTH]] Extracellular zinc metalloprotease.	+	[https://www.uniprot.org/uniprot/THER_BACTH THER_BACTH] Extracellular zinc metalloprotease.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 29:		Line 28:
	[[Category: Bacillus thermoproteolyticus]]		[[Category: Bacillus thermoproteolyticus]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Thermolysin]]~~	+	[[Category: Bhyravbhatla B]]
-	[[Category: Bhyravbhatla, B]]	+	[[Category: Birrane G]]
-	[[Category: Birrane, G]]	+	[[Category: Navia M]]
-	[[Category: Navia, M]]	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: L-phenylalanine methyl ester]]~~	+
-	~~[[Category: Metalloproteinase]]~~	+
-	~~[[Category: N-carbobenzyloxy-l-asparic acid~~]]	+

OCA at 06:08, 8 June 2022

OCA — Wed, 08 Jun 2022 06:08:44 GMT

←Older revision		Revision as of 06:08, 8 June 2022
Line 1:		Line 1:

	==Structure of Thermolysin in complex with N-Carbobenzyloxy-L-aspartic acid and L-Phenylalanine Methyl Ester==		==Structure of Thermolysin in complex with N-Carbobenzyloxy-L-aspartic acid and L-Phenylalanine Methyl Ester==
-	<StructureSection load='3qh5' size='340' side='right' caption='[[3qh5]], [[Resolution\|resolution]] 1.50Å' scene=''>	+	<StructureSection load='3qh5' size='340' side='right'caption='[[3qh5]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3qh5]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3QH5 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3qh5]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QH5 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0A9:METHYL+L-PHENYLALANINATE'>0A9</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NX6:N-[(BENZYLOXY)CARBONYL]-L-ASPARTIC+ACID'>NX6</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0A9:METHYL+L-PHENYLALANINATE'>0A9</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NX6:N-[(BENZYLOXY)CARBONYL]-L-ASPARTIC+ACID'>NX6</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3qh1\|3qh1]], [[3qgo\|3qgo]], [[1thl\|1thl]], [[4tmn\|4tmn]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3qh1\|3qh1]], [[3qgo\|3qgo]], [[1thl\|1thl]], [[4tmn\|4tmn]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Thermolysin Thermolysin], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.27 3.4.24.27] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Thermolysin Thermolysin], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.27 3.4.24.27] </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=3qh5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qh5 OCA], [~~http~~://pdbe.org/3qh5 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3qh5 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3qh5 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3qh5 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=3qh5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qh5 OCA], [https://pdbe.org/3qh5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qh5 RCSB], [https://www.ebi.ac.uk/pdbsum/3qh5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qh5 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/THER_BACTH THER_BACTH]] Extracellular zinc metalloprotease.	+	[[https://www.uniprot.org/uniprot/THER_BACTH THER_BACTH]] Extracellular zinc metalloprotease.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 22:		Line 22:

	==See Also==		==See Also==
-	*[[Thermolysin\|Thermolysin]]	+	*[[Thermolysin 3D structures\|Thermolysin 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 28:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Bacillus thermoproteolyticus]]		[[Category: Bacillus thermoproteolyticus]]
		+	[[Category: Large Structures]]
	[[Category: Thermolysin]]		[[Category: Thermolysin]]
	[[Category: Bhyravbhatla, B]]		[[Category: Bhyravbhatla, B]]

OCA at 13:58, 4 August 2016

OCA — Thu, 04 Aug 2016 13:58:10 GMT

←Older revision		Revision as of 13:58, 4 August 2016
Line 1:		Line 1:
		+
	==Structure of Thermolysin in complex with N-Carbobenzyloxy-L-aspartic acid and L-Phenylalanine Methyl Ester==		==Structure of Thermolysin in complex with N-Carbobenzyloxy-L-aspartic acid and L-Phenylalanine Methyl Ester==
	<StructureSection load='3qh5' size='340' side='right' caption='[[3qh5]], [[Resolution\|resolution]] 1.50Å' scene=''>		<StructureSection load='3qh5' size='340' side='right' caption='[[3qh5]], [[Resolution\|resolution]] 1.50Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3qh1\|3qh1]], [[3qgo\|3qgo]], [[1thl\|1thl]], [[4tmn\|4tmn]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3qh1\|3qh1]], [[3qgo\|3qgo]], [[1thl\|1thl]], [[4tmn\|4tmn]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Thermolysin Thermolysin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.27 3.4.24.27] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Thermolysin Thermolysin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.27 3.4.24.27] </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=3qh5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qh5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qh5 RCSB], [http://www.ebi.ac.uk/pdbsum/3qh5 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=3qh5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qh5 OCA], [http://pdbe.org/3qh5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3qh5 RCSB], [http://www.ebi.ac.uk/pdbsum/3qh5 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3qh5 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	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 3qh5" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==

OCA at 15:21, 24 December 2014

OCA — Wed, 24 Dec 2014 15:21:17 GMT

←Older revision		Revision as of 15:21, 24 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3qh5]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QH5 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3qh5]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QH5 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0A9:METHYL+L-PHENYLALANINATE'>0A9</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NX6:N-[(BENZYLOXY)CARBONYL]-L-ASPARTIC+ACID'>NX6</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0A9:METHYL+L-PHENYLALANINATE'>0A9</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NX6:N-[(BENZYLOXY)CARBONYL]-L-ASPARTIC+ACID'>NX6</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3qh1\|3qh1]], [[3qgo\|3qgo]], [[1thl\|1thl]], [[4tmn\|4tmn]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3qh1\|3qh1]], [[3qgo\|3qgo]], [[1thl\|1thl]], [[4tmn\|4tmn]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Thermolysin Thermolysin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.27 3.4.24.27] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Thermolysin Thermolysin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.27 3.4.24.27] </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=3qh5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qh5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qh5 RCSB], [http://www.ebi.ac.uk/pdbsum/3qh5 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=3qh5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qh5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qh5 RCSB], [http://www.ebi.ac.uk/pdbsum/3qh5 PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/THER_BACTH THER_BACTH]] Extracellular zinc metalloprotease.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 27:
	[[Category: Bacillus thermoproteolyticus]]		[[Category: Bacillus thermoproteolyticus]]
	[[Category: Thermolysin]]		[[Category: Thermolysin]]
-	[[Category: Bhyravbhatla, B.]]	+	[[Category: Bhyravbhatla, B]]
-	[[Category: Birrane, G.]]	+	[[Category: Birrane, G]]
-	[[Category: Navia, M.]]	+	[[Category: Navia, M]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]

OCA at 06:13, 2 July 2014

OCA — Wed, 02 Jul 2014 06:13:43 GMT

←Older revision		Revision as of 06:13, 2 July 2014
Line 2:		Line 2:
	<StructureSection load='3qh5' size='340' side='right' caption='[[3qh5]], [[Resolution\|resolution]] 1.50Å' scene=''>		<StructureSection load='3qh5' size='340' side='right' caption='[[3qh5]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3qh5]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA]. <br>	+	<table><tr><td colspan='2'>[[3qh5]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QH5 FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0A9:METHYL+L-PHENYLALANINATE'>0A9</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NX6:N-[(BENZYLOXY)CARBONYL]-L-ASPARTIC+ACID'>NX6</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>		</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0A9:METHYL+L-PHENYLALANINATE'>0A9</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NX6:N-[(BENZYLOXY)CARBONYL]-L-ASPARTIC+ACID'>NX6</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3qh1\|3qh1]], [[3qgo\|3qgo]], [[1thl\|1thl]], [[4tmn\|4tmn]]</td></tr>		<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3qh1\|3qh1]], [[3qgo\|3qgo]], [[1thl\|1thl]], [[4tmn\|4tmn]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/~~Glucokinase Glucokinase~~], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.~~2 2~~.7.1.2] </span></td></tr>	+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Thermolysin Thermolysin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.27 3.4.24.27] </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=3qh5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qh5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qh5 RCSB], [http://www.ebi.ac.uk/pdbsum/3qh5 PDBsum]</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=3qh5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qh5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qh5 RCSB], [http://www.ebi.ac.uk/pdbsum/3qh5 PDBsum]</span></td></tr>
	<table>		<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Protease mediated peptide synthesis (PMPS) was first described in the 1930s but remains underexploited today. In most PMPS, the reaction equilibrium is shifted toward synthesis by the aqueous insolubility of product generated. Substrates and proteases are selected by trial and error, yields are modest, and reaction times are slow. Once implemented, however, PMPS reactions can be simple, environmentally benign, and readily scalable to a commercial level. We examined the PMPS of a precursor of the artificial sweetener aspartame, a multiton peptide synthesis catalyzed by the enzyme thermolysin. X-ray structures of thermolysin in complex with aspartame substrates separately, and after PMPS in a crystal, rationalize the reaction's substrate preferences and reveal an unexpected form of substrate inhibition that explains its sluggishness. Structure guided optimization of this and other PMPS reactions could expand the economic viability of commercial peptides beyond current high-potency, low-volume therapeutics, with substantial green chemistry advantages.
		+
		+	Synthesis of Aspartame by Thermolysin: An X-ray Structural Study.,Birrane G, Bhyravbhatla B, Navia MA ACS Med Chem Lett. 2014 Apr 10;5(6):706-10. doi: 10.1021/ml500101z. eCollection, 2014 Jun 12. PMID:24944748<ref>PMID:24944748</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+
		+	==See Also==
		+	*[[Thermolysin\|Thermolysin]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 09:34, 1 May 2014

OCA — Thu, 01 May 2014 09:34:26 GMT

←Older revision		Revision as of 09:34, 1 May 2014
Line 2:		Line 2:
	<StructureSection load='3qh5' size='340' side='right' caption='[[3qh5]], [[Resolution\|resolution]] 1.50Å' scene=''>		<StructureSection load='3qh5' size='340' side='right' caption='[[3qh5]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	[[3qh5]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA]. <br>	+	<table><tr><td colspan='2'>[[3qh5]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA]. <br>
-	<b>[[Ligand\|Ligands:]]</b> <scene name='pdbligand=0A9:METHYL+L-PHENYLALANINATE'>0A9</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NX6:N-[(BENZYLOXY)CARBONYL]-L-ASPARTIC+ACID'>NX6</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>	+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0A9:METHYL+L-PHENYLALANINATE'>0A9</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NX6:N-[(BENZYLOXY)CARBONYL]-L-ASPARTIC+ACID'>NX6</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
-	<b>[[Related_structure\|Related:]]</b> [[3qh1\|3qh1]], [[3qgo\|3qgo]], [[1thl\|1thl]], [[4tmn\|4tmn]]<br>	+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3qh1\|3qh1]], [[3qgo\|3qgo]], [[1thl\|1thl]], [[4tmn\|4tmn]]</td></tr>
-	<b>Activity:</b> <span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span><br>	+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span></td></tr>
-	<b>Resources:</b> <span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3qh5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qh5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qh5 RCSB], [http://www.ebi.ac.uk/pdbsum/3qh5 PDBsum]</span><br>	+	<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=3qh5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qh5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qh5 RCSB], [http://www.ebi.ac.uk/pdbsum/3qh5 PDBsum]</span></td></tr>
		+	<table>
	== References ==		== References ==
	<references/>		<references/>

OCA at 10:09, 30 April 2014

OCA — Wed, 30 Apr 2014 10:09:25 GMT

←Older revision		Revision as of 10:09, 30 April 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	[[3qh5]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA]. <br>		[[3qh5]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA]. <br>
-	<b>Related:</b> [[3qh1\|3qh1]], [[3qgo\|3qgo]], [[1thl\|1thl]], [[4tmn\|4tmn]]<br>	+	<b>[[Ligand\|Ligands:]]</b> <scene name='pdbligand=0A9:METHYL+L-PHENYLALANINATE'>0A9</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NX6:N-[(BENZYLOXY)CARBONYL]-L-ASPARTIC+ACID'>NX6</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
		+	<b>[[Related_structure\|Related:]]</b> [[3qh1\|3qh1]], [[3qgo\|3qgo]], [[1thl\|1thl]], [[4tmn\|4tmn]]<br>
	<b>Activity:</b> <span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span><br>		<b>Activity:</b> <span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span><br>
		+	<b>Resources:</b> <span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3qh5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qh5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qh5 RCSB], [http://www.ebi.ac.uk/pdbsum/3qh5 PDBsum]</span><br>
	== References ==		== References ==
	<references/>		<references/>

OCA at 05:22, 30 April 2014

OCA — Wed, 30 Apr 2014 05:22:29 GMT

←Older revision		Revision as of 05:22, 30 April 2014
Line 1:		Line 1:
-	~~[[Image:3qh5.png\|left\|200px]]~~	+	==Structure of Thermolysin in complex with N-Carbobenzyloxy-L-aspartic acid and L-Phenylalanine Methyl Ester==
-		+	<StructureSection load='3qh5' size='340' side='right' caption='[[3qh5]], [[Resolution\|resolution]] 1.50Å' scene=''>
-	~~{{STRUCTURE_3qh5\| PDB=3qh5 \| SCENE= }}~~	+	== Structural highlights ==
-		+	[[3qh5]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA]. <br>
-	===Structure of Thermolysin in complex with N-Carbobenzyloxy-L-aspartic acid and L-Phenylalanine Methyl Ester===	+	<b>Related:</b> [[3qh1\|3qh1]], [[3qgo\|3qgo]], [[1thl\|1thl]], [[4tmn\|4tmn]]<br>
-		+	<b>Activity:</b> <span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span><br>
-		+	== References ==
-	==~~About this Structure~~==	+	<references/>
-	[[3qh5]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA].	+	__TOC__
-		+	</StructureSection>
-	==~~See Also~~==	+
-	*[[Thermolysin\|Thermolysin]]	+
	[[Category: Bacillus thermoproteolyticus]]		[[Category: Bacillus thermoproteolyticus]]
	[[Category: Thermolysin]]		[[Category: Thermolysin]]

OCA at 06:45, 20 October 2012

OCA — Sat, 20 Oct 2012 06:45:26 GMT

←Older revision		Revision as of 06:45, 20 October 2012
Line 7:		Line 7:

	==About this Structure==		==About this Structure==
-	[[3qh5]] is a 1 chain structure ~~of [[Thermolysin]]~~ with sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA].	+	[[3qh5]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QH5 OCA].

	==See Also==		==See Also==