3uou - Revision history

OCA at 14:04, 14 March 2024

OCA — Thu, 14 Mar 2024 14:04:24 GMT

←Older revision		Revision as of 14:04, 14 March 2024
Line 3:		Line 3:
	<StructureSection load='3uou' size='340' side='right'caption='[[3uou]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='3uou' size='340' side='right'caption='[[3uou]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3uou]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Stihl Stihl~~] and [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3UOU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3UOU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3uou]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Stichodactyla_helianthus Stichodactyla helianthus] and [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3UOU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3UOU FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 2Å</td></tr>
-	<tr id='~~activity~~'><td class="sblockLbl"><b>~~Activity~~:</b></td><td class="sblockDat"><~~span class~~='~~plainlinks~~'>~~[https:~~/~~/en.wikipedia.org/wiki/Pancreatic_elastase Pancreatic elastase]~~, ~~with EC number [https~~:~~//www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36]~~ </~~span~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</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=3uou FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3uou OCA], [https://pdbe.org/3uou PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3uou RCSB], [https://www.ebi.ac.uk/pdbsum/3uou PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3uou 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=3uou FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3uou OCA], [https://pdbe.org/3uou PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3uou RCSB], [https://www.ebi.ac.uk/pdbsum/3uou PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3uou ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/~~CELA1_PIG CELA1_PIG]] Acts upon elastin. [[https://www.uniprot.org/uniprot/ISH1_STOHE ISH1_STOHE]~~] Active against serine, cysteine, and aspartic ~~proteinases~~. Can bind vertebrate trypsin and chymotrypsin.~~<ref>PMID:9027993</ref>~~ <ref>PMID:22975140</ref>	+	[https://www.uniprot.org/uniprot/VKT1_STIHL VKT1_STIHL] Active against serine, cysteine, and aspartic proteases. Can bind vertebrate trypsin and chymotrypsin.<ref>PMID:22975140</ref> <ref>PMID:9027993</ref>
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	Elastase-like enzymes are involved in important diseases, such as acute pancreatitis, chronic inflammatory lung diseases, and cancer. Structural insights into the interaction with specific inhibitors will contribute to develop novel anti-elastase compounds that resist rapid oxidation and proteolysis. Proteinaceous Kunitz-type inhibitors homologous to the bovine pancreatic trypsin inhibitor (BPTI) provide a suitable scaffold, but structural aspects of their interaction with elastase-like enzymes have not been elucidated. Here, we increased the selectivity of ShPI-1, a versatile serine protease inhibitor from the sea anemone Stichodactyla helianthus with high biomedical and biotechnological potential, towards elastase-like enzymes by substitution of the P1 residue (Lys13) with leucine. The variant (rShPI-1/K13L) exhibits a novel anti-porcine pancreatic elastase (PPE) activity, together with a significantly improved inhibition of human neuthrophil elastase (HNE) and chymotrypsin. The crystal structure of the PPE-rShPI-1/K13L complex determined at 2.0 A resolution provided first details of the canonical interaction between a BPTI-Kunitz-type domain and elastase-like enzymes. In addition to the essential impact of the variant P1 residue for complex stability, the interface is improved by increased contributions of the primary and secondary binding loop as compared to similar trypsin and chymotrypsin complexes. Comparison of the interaction network with elastase complexes of canonical inhibitors from the chelonianin family supports a key role of the P3 site in ShPI-1 in directing its selectivity against pancreatic and neutrophil elastases. Our results provide the structural basis for site-specific mutagenesis to further improve the binding affinity and/or to direct the selectivity of BPTI-Kunitz-type inhibitors towards elastase-like enzymes.	+
-		+
-	Three-dimensional structure of a Kunitz-type inhibitor in complex with an elastase-like enzyme.,Garcia-Fernandez R, Perbandt M, Rehders D, Ziegelmueller P, Piganeau N, Hahn U, Betzel C, de Los Angeles Chavez M, Redecke L J Biol Chem. 2015 Apr 15. pii: jbc.M115.647586. PMID:25878249<ref>PMID:~~25878249~~</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3uou" style="background-color:#fffaf0;"></div~~>	+

	==See Also==		==See Also==
Line 27:		Line 18:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Pancreatic elastase]]~~	+	[[Category: Stichodactyla helianthus]]
-	~~[[Category: Stihl~~]]	+
	[[Category: Sus scrofa]]		[[Category: Sus scrofa]]
-	[[Category: Betzel, C]]	+	[[Category: Betzel C]]
-	[[Category: Chavez~~, M A~~]]	+	[[Category: Chavez MA]]
-	[[Category: Garcia-Fernandez, R]]	+	[[Category: Garcia-Fernandez R]]
-	[[Category: Gonzalez-Gonzalez, Y]]	+	[[Category: Gonzalez-Gonzalez Y]]
-	[[Category: Perbandt, M]]	+	[[Category: Perbandt M]]
-	[[Category: Redecke, L]]	+	[[Category: Redecke L]]
-	[[Category: Rehders, D]]	+	[[Category: Rehders D]]
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Kunitz-type inhibitor]]~~	+
-	~~[[Category: Protein-protein interaction~~]]	+

OCA at 07:54, 20 July 2022

OCA — Wed, 20 Jul 2022 07:54:01 GMT

←Older revision		Revision as of 07:54, 20 July 2022
Line 1:		Line 1:

	==Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase==		==Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase==
-	<StructureSection load='3uou' size='340' side='right' caption='[[3uou]], [[Resolution\|resolution]] 2.00Å' scene=''>	+	<StructureSection load='3uou' size='340' side='right'caption='[[3uou]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3uou]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Stihl Stihl] and [~~http~~://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3UOU OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3UOU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3uou]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Stihl Stihl] and [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3UOU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3UOU FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</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=GOL:GLYCEROL'>GOL</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/Pancreatic_elastase Pancreatic elastase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Pancreatic_elastase Pancreatic elastase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] </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=3uou FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3uou OCA], [~~http~~://pdbe.org/3uou PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3uou RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3uou PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3uou 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=3uou FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3uou OCA], [https://pdbe.org/3uou PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3uou RCSB], [https://www.ebi.ac.uk/pdbsum/3uou PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3uou ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/CELA1_PIG CELA1_PIG]] Acts upon elastin. [[~~http~~://www.uniprot.org/uniprot/ISH1_STOHE ISH1_STOHE]] Active against serine, cysteine, and aspartic proteinases. Can bind vertebrate trypsin and chymotrypsin.<ref>PMID:9027993</ref> <ref>PMID:22975140</ref>	+	[[https://www.uniprot.org/uniprot/CELA1_PIG CELA1_PIG]] Acts upon elastin. [[https://www.uniprot.org/uniprot/ISH1_STOHE ISH1_STOHE]] Active against serine, cysteine, and aspartic proteinases. Can bind vertebrate trypsin and chymotrypsin.<ref>PMID:9027993</ref> <ref>PMID:22975140</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 3uou" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3uou" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Elastase 3D structures\|Elastase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Pancreatic elastase]]		[[Category: Pancreatic elastase]]
	[[Category: Stihl]]		[[Category: Stihl]]

OCA at 09:14, 21 February 2019

OCA — Thu, 21 Feb 2019 09:14:07 GMT

←Older revision		Revision as of 09:14, 21 February 2019
Line 3:		Line 3:
	<StructureSection load='3uou' size='340' side='right' caption='[[3uou]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='3uou' size='340' side='right' caption='[[3uou]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3uou]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Carribean_sea_anemone Carribean sea anemone~~] and [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3UOU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3UOU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3uou]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Stihl Stihl] and [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3UOU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3UOU FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</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=GOL:GLYCEROL'>GOL</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/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] </span></td></tr>
Line 23:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Carribean sea anemone]]
	[[Category: Pancreatic elastase]]		[[Category: Pancreatic elastase]]
		+	[[Category: Stihl]]
	[[Category: Sus scrofa]]		[[Category: Sus scrofa]]
	[[Category: Betzel, C]]		[[Category: Betzel, C]]

OCA at 17:04, 22 March 2017

OCA — Wed, 22 Mar 2017 17:04:50 GMT

←Older revision		Revision as of 17:04, 22 March 2017
Line 1:		Line 1:
		+
	==Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase==		==Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase==
	<StructureSection load='3uou' size='340' side='right' caption='[[3uou]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='3uou' size='340' side='right' caption='[[3uou]], [[Resolution\|resolution]] 2.00Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</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=GOL:GLYCEROL'>GOL</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/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] </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=3uou FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3uou OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3uou RCSB], [http://www.ebi.ac.uk/pdbsum/3uou 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=3uou FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3uou OCA], [http://pdbe.org/3uou PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3uou RCSB], [http://www.ebi.ac.uk/pdbsum/3uou PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3uou 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 3uou" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 05:41, 30 April 2015

OCA — Thu, 30 Apr 2015 05:41:31 GMT

←Older revision		Revision as of 05:41, 30 April 2015
Line 2:		Line 2:
	<StructureSection load='3uou' size='340' side='right' caption='[[3uou]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='3uou' size='340' side='right' caption='[[3uou]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3uou]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Stichodactyla_helianthus Stichodactyla helianthus~~] and [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3UOU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3UOU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3uou]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Carribean_sea_anemone Carribean sea anemone] and [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3UOU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3UOU FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</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=GOL:GLYCEROL'>GOL</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/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] </span></td></tr>
Line 9:		Line 9:
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/CELA1_PIG CELA1_PIG]] Acts upon elastin. [[http://www.uniprot.org/uniprot/ISH1_STOHE ISH1_STOHE]] Active against serine, cysteine, and aspartic proteinases. Can bind vertebrate trypsin and chymotrypsin.<ref>PMID:9027993</ref> <ref>PMID:22975140</ref>		[[http://www.uniprot.org/uniprot/CELA1_PIG CELA1_PIG]] Acts upon elastin. [[http://www.uniprot.org/uniprot/ISH1_STOHE ISH1_STOHE]] Active against serine, cysteine, and aspartic proteinases. Can bind vertebrate trypsin and chymotrypsin.<ref>PMID:9027993</ref> <ref>PMID:22975140</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Elastase-like enzymes are involved in important diseases, such as acute pancreatitis, chronic inflammatory lung diseases, and cancer. Structural insights into the interaction with specific inhibitors will contribute to develop novel anti-elastase compounds that resist rapid oxidation and proteolysis. Proteinaceous Kunitz-type inhibitors homologous to the bovine pancreatic trypsin inhibitor (BPTI) provide a suitable scaffold, but structural aspects of their interaction with elastase-like enzymes have not been elucidated. Here, we increased the selectivity of ShPI-1, a versatile serine protease inhibitor from the sea anemone Stichodactyla helianthus with high biomedical and biotechnological potential, towards elastase-like enzymes by substitution of the P1 residue (Lys13) with leucine. The variant (rShPI-1/K13L) exhibits a novel anti-porcine pancreatic elastase (PPE) activity, together with a significantly improved inhibition of human neuthrophil elastase (HNE) and chymotrypsin. The crystal structure of the PPE-rShPI-1/K13L complex determined at 2.0 A resolution provided first details of the canonical interaction between a BPTI-Kunitz-type domain and elastase-like enzymes. In addition to the essential impact of the variant P1 residue for complex stability, the interface is improved by increased contributions of the primary and secondary binding loop as compared to similar trypsin and chymotrypsin complexes. Comparison of the interaction network with elastase complexes of canonical inhibitors from the chelonianin family supports a key role of the P3 site in ShPI-1 in directing its selectivity against pancreatic and neutrophil elastases. Our results provide the structural basis for site-specific mutagenesis to further improve the binding affinity and/or to direct the selectivity of BPTI-Kunitz-type inhibitors towards elastase-like enzymes.
		+
		+	Three-dimensional structure of a Kunitz-type inhibitor in complex with an elastase-like enzyme.,Garcia-Fernandez R, Perbandt M, Rehders D, Ziegelmueller P, Piganeau N, Hahn U, Betzel C, de Los Angeles Chavez M, Redecke L J Biol Chem. 2015 Apr 15. pii: jbc.M115.647586. PMID:25878249<ref>PMID:25878249</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Carribean sea anemone]]
	[[Category: Pancreatic elastase]]		[[Category: Pancreatic elastase]]
-	[[Category: Stichodactyla helianthus]]
	[[Category: Sus scrofa]]		[[Category: Sus scrofa]]
	[[Category: Betzel, C]]		[[Category: Betzel, C]]

OCA at 19:17, 24 December 2014

OCA — Wed, 24 Dec 2014 19:17:13 GMT

←Older revision		Revision as of 19:17, 24 December 2014
Line 1:		Line 1:
-	~~[[Image:3uou.jpg\|left\|200px]]~~	+	==Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase==
-		+	<StructureSection load='3uou' size='340' side='right' caption='[[3uou]], [[Resolution\|resolution]] 2.00Å' scene=''>
-	~~{{STRUCTURE_3uou\| PDB=3uou \| SCENE= }}~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[3uou]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Stichodactyla_helianthus Stichodactyla helianthus] and [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3UOU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3UOU FirstGlance]. <br>
-	===Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase===	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</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/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] </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=3uou FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3uou OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3uou RCSB], [http://www.ebi.ac.uk/pdbsum/3uou PDBsum]</span></td></tr>
-	==~~About this Structure~~==	+	</table>
-	[[3uou]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Stichodactyla_helianthus Stichodactyla helianthus] and [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3UOU OCA].	+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CELA1_PIG CELA1_PIG]] Acts upon elastin. [[http://www.uniprot.org/uniprot/ISH1_STOHE ISH1_STOHE]] Active against serine, cysteine, and aspartic proteinases. Can bind vertebrate trypsin and chymotrypsin.<ref>PMID:9027993</ref> <ref>PMID:22975140</ref>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Pancreatic elastase]]		[[Category: Pancreatic elastase]]
	[[Category: Stichodactyla helianthus]]		[[Category: Stichodactyla helianthus]]
	[[Category: Sus scrofa]]		[[Category: Sus scrofa]]
-	[[Category: Betzel, C.]]	+	[[Category: Betzel, C]]
-	[[Category: Chavez, M A.]]	+	[[Category: Chavez, M A]]
-	[[Category: Garcia-Fernandez, R.]]	+	[[Category: Garcia-Fernandez, R]]
-	[[Category: Gonzalez-Gonzalez, Y.]]	+	[[Category: Gonzalez-Gonzalez, Y]]
-	[[Category: Perbandt, M.]]	+	[[Category: Perbandt, M]]
-	[[Category: Redecke, L.]]	+	[[Category: Redecke, L]]
-	[[Category: Rehders, D.]]	+	[[Category: Rehders, D]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]
	[[Category: Kunitz-type inhibitor]]		[[Category: Kunitz-type inhibitor]]
	[[Category: Protein-protein interaction]]		[[Category: Protein-protein interaction]]

OCA at 09:42, 21 November 2012

OCA — Wed, 21 Nov 2012 09:42:47 GMT

←Older revision		Revision as of 09:42, 21 November 2012
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3uou.jpg\|left\|200px]]

-	~~The entry~~ 3uou ~~is ON HOLD~~ ~~until Nov 19 2013~~	+	{{STRUCTURE_3uou\| PDB=3uou \| SCENE= }}

-	~~Authors: Garcia~~-~~Fernandez, R., Perbandt, M., Rehders, D., Gonzalez~~-~~Gonzalez, Y., Chavez, M.A., Betzel, C., Redecke, L.~~	+	===Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase===

-	~~Description: Crystal~~ structure ~~of the~~ Kunitz-type ~~protease~~ inhibitor ~~ShPI~~-~~1 Lys13Leu mutant in complex with pancreatic elastase~~	+
		+	==About this Structure==
		+	[[3uou]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Stichodactyla_helianthus Stichodactyla helianthus] and [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3UOU OCA].
		+	[[Category: Pancreatic elastase]]
		+	[[Category: Stichodactyla helianthus]]
		+	[[Category: Sus scrofa]]
		+	[[Category: Betzel, C.]]
		+	[[Category: Chavez, M A.]]
		+	[[Category: Garcia-Fernandez, R.]]
		+	[[Category: Gonzalez-Gonzalez, Y.]]
		+	[[Category: Perbandt, M.]]
		+	[[Category: Redecke, L.]]
		+	[[Category: Rehders, D.]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Kunitz-type inhibitor]]
		+	[[Category: Protein-protein interaction]]

OCA at 08:23, 31 October 2012

OCA — Wed, 31 Oct 2012 08:23:58 GMT

←Older revision		Revision as of 08:23, 31 October 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3uou is ON HOLD until ~~Paper Publication~~	+	The entry 3uou is ON HOLD until Nov 19 2013

	Authors: Garcia-Fernandez, R., Perbandt, M., Rehders, D., Gonzalez-Gonzalez, Y., Chavez, M.A., Betzel, C., Redecke, L.		Authors: Garcia-Fernandez, R., Perbandt, M., Rehders, D., Gonzalez-Gonzalez, Y., Chavez, M.A., Betzel, C., Redecke, L.

	Description: Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase		Description: Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase

OCA at 11:11, 14 December 2011

OCA — Wed, 14 Dec 2011 11:11:05 GMT

←Older revision		Revision as of 11:11, 14 December 2011
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3uou is ON HOLD	+	The entry 3uou is ON HOLD until Paper Publication

	Authors: Garcia-Fernandez, R., Perbandt, M., Rehders, D., Gonzalez-Gonzalez, Y., Chavez, M.A., Betzel, C., Redecke, L.		Authors: Garcia-Fernandez, R., Perbandt, M., Rehders, D., Gonzalez-Gonzalez, Y., Chavez, M.A., Betzel, C., Redecke, L.

	Description: Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase		Description: Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase

OCA at 07:36, 7 December 2011

OCA — Wed, 07 Dec 2011 07:36:46 GMT

←Older revision		Revision as of 07:36, 7 December 2011
Line 3:		Line 3:
	The entry 3uou is ON HOLD		The entry 3uou is ON HOLD

-	Authors: Garcia-Fernandez, R, Perbandt, M, Rehders, D, Gonzalez-Gonzalez, Y, Chavez, M.A, Betzel, Ch, Redecke, L	+	Authors: Garcia-Fernandez, R., Perbandt, M., Rehders, D., Gonzalez-Gonzalez, Y., Chavez, M.A., Betzel, C., Redecke, L.

	Description: Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase		Description: Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase