3f2p - Revision history

OCA at 06:40, 6 September 2023

OCA — Wed, 06 Sep 2023 06:40:57 GMT

←Older revision		Revision as of 06:40, 6 September 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3f2p]] 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=3F2P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3F2P FirstGlance]. <br>		<table><tr><td colspan='2'>[[3f2p]] 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=3F2P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3F2P FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=S3B:3-METHYL-2-(PROPANOYLOXY)BENZOIC+ACID'>S3B</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]] 1.95Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3f28\|3f28]], [[8tln\|8tln]]</div></td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=S3B:3-METHYL-2-(PROPANOYLOXY)BENZOIC+ACID'>S3B</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=3f2p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f2p OCA], [https://pdbe.org/3f2p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3f2p RCSB], [https://www.ebi.ac.uk/pdbsum/3f2p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3f2p 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=3f2p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f2p OCA], [https://pdbe.org/3f2p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3f2p RCSB], [https://www.ebi.ac.uk/pdbsum/3f2p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3f2p 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.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 39:		Line 38:
	[[Category: Bacillus thermoproteolyticus]]		[[Category: Bacillus thermoproteolyticus]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Thermolysin]]~~	+	[[Category: Englert L]]
-	[[Category: Englert, L]]	+	[[Category: Heine A]]
-	[[Category: Heine, A]]	+	[[Category: Klebe G]]
-	[[Category: Klebe, G]]	+
-	~~[[Category: Calcium]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Metal-binding]]~~	+
-	~~[[Category: Metalloprotease]]~~	+
-	~~[[Category: Protease]]~~	+
-	~~[[Category: Protein fragment complex]]~~	+
-	~~[[Category: Secreted]]~~	+
-	~~[[Category: Zinc]]~~	+
-	~~[[Category: Zymogen~~]]	+

OCA at 09:22, 23 February 2022

OCA — Wed, 23 Feb 2022 09:22:22 GMT

←Older revision		Revision as of 09:22, 23 February 2022
Line 3:		Line 3:
	<StructureSection load='3f2p' size='340' side='right'caption='[[3f2p]], [[Resolution\|resolution]] 1.95Å' scene=''>		<StructureSection load='3f2p' size='340' side='right'caption='[[3f2p]], [[Resolution\|resolution]] 1.95Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3f2p]] 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=3F2P OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3F2P FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3f2p]] 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=3F2P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3F2P FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=S3B:3-METHYL-2-(PROPANOYLOXY)BENZOIC+ACID'>S3B</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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=S3B:3-METHYL-2-(PROPANOYLOXY)BENZOIC+ACID'>S3B</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">[[3f28\|3f28]], [[8tln\|8tln]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3f28\|3f28]], [[8tln\|8tln]]</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=3f2p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f2p OCA], [~~http~~://pdbe.org/3f2p PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3f2p RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3f2p PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3f2p 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=3f2p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f2p OCA], [https://pdbe.org/3f2p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3f2p RCSB], [https://www.ebi.ac.uk/pdbsum/3f2p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3f2p 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.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 32:		Line 32:

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

OCA at 08:05, 24 July 2019

OCA — Wed, 24 Jul 2019 08:05:03 GMT

←Older revision		Revision as of 08:05, 24 July 2019
Line 1:		Line 1:

	==Thermolysin inhibition==		==Thermolysin inhibition==
-	<StructureSection load='3f2p' size='340' side='right' caption='[[3f2p]], [[Resolution\|resolution]] 1.95Å' scene=''>	+	<StructureSection load='3f2p' size='340' side='right'caption='[[3f2p]], [[Resolution\|resolution]] 1.95Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3f2p]] 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=3F2P OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3F2P FirstGlance]. <br>		<table><tr><td colspan='2'>[[3f2p]] 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=3F2P OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3F2P FirstGlance]. <br>
Line 38:		Line 38:
	</StructureSection>		</StructureSection>
	[[Category: Bacillus thermoproteolyticus]]		[[Category: Bacillus thermoproteolyticus]]
		+	[[Category: Large Structures]]
	[[Category: Thermolysin]]		[[Category: Thermolysin]]
	[[Category: Englert, L]]		[[Category: Englert, L]]

OCA at 22:01, 2 December 2018

OCA — Sun, 02 Dec 2018 22:01:21 GMT

←Older revision		Revision as of 22:01, 2 December 2018
Line 15:		Line 15:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f2/3f2p_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f2/3f2p_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>
Line 42:		Line 42:
	[[Category: Heine, A]]		[[Category: Heine, A]]
	[[Category: Klebe, G]]		[[Category: Klebe, G]]
		+	[[Category: Calcium]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Metal-binding]]		[[Category: Metal-binding]]
Line 48:		Line 49:
	[[Category: Protein fragment complex]]		[[Category: Protein fragment complex]]
	[[Category: Secreted]]		[[Category: Secreted]]
		+	[[Category: Zinc]]
	[[Category: Zymogen]]		[[Category: Zymogen]]

OCA at 03:28, 5 August 2016

OCA — Fri, 05 Aug 2016 03:28:42 GMT

←Older revision		Revision as of 03:28, 5 August 2016
Line 1:		Line 1:
		+
	==Thermolysin inhibition==		==Thermolysin inhibition==
	<StructureSection load='3f2p' size='340' side='right' caption='[[3f2p]], [[Resolution\|resolution]] 1.95Å' scene=''>		<StructureSection load='3f2p' size='340' side='right' caption='[[3f2p]], [[Resolution\|resolution]] 1.95Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3f28\|3f28]], [[8tln\|8tln]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3f28\|3f28]], [[8tln\|8tln]]</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=3f2p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f2p OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3f2p RCSB], [http://www.ebi.ac.uk/pdbsum/3f2p 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=3f2p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f2p OCA], [http://pdbe.org/3f2p PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3f2p RCSB], [http://www.ebi.ac.uk/pdbsum/3f2p PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3f2p ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	<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=3f2p ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 28:		Line 29:
	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 3f2p" style="background-color:#fffaf0;"></div>

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

OCA at 15:30, 25 December 2014

OCA — Thu, 25 Dec 2014 15:30:16 GMT

←Older revision		Revision as of 15:30, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3f2p]] 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=3F2P OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3F2P FirstGlance]. <br>		<table><tr><td colspan='2'>[[3f2p]] 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=3F2P OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3F2P FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=S3B:3-METHYL-2-(PROPANOYLOXY)BENZOIC+ACID'>S3B</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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=S3B:3-METHYL-2-(PROPANOYLOXY)BENZOIC+ACID'>S3B</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3f28\|3f28]], [[8tln\|8tln]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3f28\|3f28]], [[8tln\|8tln]]</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=3f2p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f2p OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3f2p RCSB], [http://www.ebi.ac.uk/pdbsum/3f2p 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=3f2p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f2p OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3f2p RCSB], [http://www.ebi.ac.uk/pdbsum/3f2p PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/THER_BACTH THER_BACTH]] Extracellular zinc metalloprotease.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 35:		Line 37:
	[[Category: Bacillus thermoproteolyticus]]		[[Category: Bacillus thermoproteolyticus]]
	[[Category: Thermolysin]]		[[Category: Thermolysin]]
-	[[Category: Englert, L.]]	+	[[Category: Englert, L]]
-	[[Category: Heine, A.]]	+	[[Category: Heine, A]]
-	[[Category: Klebe, G.]]	+	[[Category: Klebe, G]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Metal-binding]]		[[Category: Metal-binding]]

OCA at 11:14, 29 September 2014

OCA — Mon, 29 Sep 2014 11:14:46 GMT

←Older revision		Revision as of 11:14, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~3f2p.~~png~~\|~~left~~\|200px]]	+	==Thermolysin inhibition==
		+	<StructureSection load='3f2p' size='340' side='right' caption='[[3f2p]], [[Resolution\|resolution]] 1.95Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3f2p]] 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=3F2P OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3F2P FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=S3B:3-METHYL-2-(PROPANOYLOXY)BENZOIC+ACID'>S3B</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3f28\|3f28]], [[8tln\|8tln]]</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=3f2p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f2p OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3f2p RCSB], [http://www.ebi.ac.uk/pdbsum/3f2p 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/f2/3f2p_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 ==
		+	Fragment-based drug discovery has gained a foothold in today's lead identification processes. We present the application of in silico fragment-based screening for the discovery of novel lead compounds for the metalloendoproteinase thermolysin. We have chosen thermolysin to validate our screening approach as it is a well-studied enzyme and serves as a model system for other proteases. A protein-targeted virtual library was designed and screening was carried out using the program AutoDock. Two fragment hits could be identified. For one of them, the crystal structure in complex with thermolysin is presented. This compound was selected for structure-based optimization of binding affinity and improvement of ligand efficiency, while concomitantly keeping the fragment-like properties of the initial hit. Redesigning the zinc coordination group revealed a novel class of fragments possessing K(i) values as low as 128 muM, thus they provide a good starting point for further hit evolution in a tailored lead design.

-	~~{{STRUCTURE_3f2p\| PDB=3f2p \| SCENE= }}~~	+	Fragment-Based Lead Discovery: Screening and Optimizing Fragments for Thermolysin Inhibition.,Englert L, Silber K, Steuber H, Brass S, Over B, Gerber HD, Heine A, Diederich WE, Klebe G ChemMedChem. 2010 Apr 14. PMID:20394106<ref>PMID:20394106</ref>

-	~~===Thermolysin inhibition===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_20394106}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3f2p]] 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=3F2P OCA].~~	+

	==See Also==		==See Also==
	*[[Thermolysin\|Thermolysin]]		*[[Thermolysin\|Thermolysin]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:020394106<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Bacillus thermoproteolyticus]]		[[Category: Bacillus thermoproteolyticus]]
	[[Category: Thermolysin]]		[[Category: Thermolysin]]

OCA at 18:21, 20 October 2012

OCA — Sat, 20 Oct 2012 18:21:07 GMT

←Older revision		Revision as of 18:21, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3f2p]] 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=3F2P OCA].	+	[[3f2p]] 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=3F2P OCA].

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

OCA at 03:49, 27 July 2012

OCA — Fri, 27 Jul 2012 03:49:42 GMT

←Older revision		Revision as of 03:49, 27 July 2012
Line 1:		Line 1:
	[[Image:3f2p.png\|left\|200px]]		[[Image:3f2p.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3f2p", 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_3f2p\| PDB=3f2p \| SCENE= }}		{{STRUCTURE_3f2p\| PDB=3f2p \| SCENE= }}

	===Thermolysin inhibition===		===Thermolysin inhibition===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_20394106}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 20394106 is the PubMed ID number.
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	{{ABSTRACT_PUBMED_20394106}}		{{ABSTRACT_PUBMED_20394106}}

Line 22:		Line 11:

	==See Also==		==See Also==
-	*[[Thermolysin]]	+	*[[Thermolysin\|Thermolysin]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~20394106~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:020394106</ref><references group="xtra"/>
	[[Category: Bacillus thermoproteolyticus]]		[[Category: Bacillus thermoproteolyticus]]
	[[Category: Thermolysin]]		[[Category: Thermolysin]]
Line 31:		Line 20:
	[[Category: Heine, A.]]		[[Category: Heine, A.]]
	[[Category: Klebe, G.]]		[[Category: Klebe, G.]]
-	[[Category: Calcium]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Metal-binding]]		[[Category: Metal-binding]]
Line 38:		Line 26:
	[[Category: Protein fragment complex]]		[[Category: Protein fragment complex]]
	[[Category: Secreted]]		[[Category: Secreted]]
-	[[Category: Zinc]]
	[[Category: Zymogen]]		[[Category: Zymogen]]

OCA: Protected "3f2p" [edit=sysop:move=sysop]

OCA — Sun, 26 Dec 2010 09:09:37 GMT

Protected "3f2p" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:09, 26 December 2010