2vs2 - Revision history

OCA at 08:45, 15 November 2023

2023-11-15T08:45:18Z

← Older revision		Revision as of 08:45, 15 November 2023
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	<StructureSection load='2vs2' size='340' side='right'caption='[[2vs2]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='2vs2' size='340' side='right'caption='[[2vs2]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2vs2]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Cryphonectria_parasitica Cryphonectria parasitica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VS2 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=2VS2 FirstGlance]. <br>		<table><tr><td colspan='2'>[[2vs2]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Cryphonectria_parasitica Cryphonectria parasitica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VS2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VS2 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0QS:N~2~-[(2R)-2-BENZYL-3-(TERT-BUTYLSULFONYL)PROPANOYL]-N-{(1R)-1-(CYCLOHEXYLMETHYL)-3,3-DIFLUORO-2,2-DIHYDROXY-4-[(2-MORPHOLIN-4-YLETHYL)AMINO]-4-OXOBUTYL}-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANINAMIDE'>0QS</scene>, <scene name='pdbligand=DOD:DEUTERATED+WATER'>DOD</scene>~~</td></tr>~~		</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">Neutron Diffraction, [[Resolution\|Resolution]] 2Å</td></tr>
	~~<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC+ACID'>SUI</scene~~></td></tr>~~		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0QS:N~2~-[(2R)-2-BENZYL-3-(TERT-BUTYLSULFONYL)PROPANOYL]-N-{(1R)-1-(CYCLOHEXYLMETHYL)-3,3-DIFLUORO-2,2-DIHYDROXY-4-[(2-MORPHOLIN-4-YLETHYL)AMINO]-4-OXOBUTYL}-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANINAMIDE'>0QS</scene>, <scene name='pdbligand=DOD:DEUTERATED+WATER'>DOD</scene>, <scene name='pdbligand=SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC+ACID'>SUI</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gvw\|1gvw]], [[5er1\|5er1]], [[1ent\|1ent]], [[4er4\|4er4]], [[3er5\|3er5]], [[1er8\|1er8]], [[1epn\|1epn]], [[1e81\|1e81]], [[1e80\|1e80]], [[5er2\|5er2]], [[2er7\|2er7]], [[1od1\|1od1]], [[1gkt\|1gkt]], [[1epo\|1epo]], [[1eed\|1eed]], [[1gvv\|1gvv]], [[1oex\|1oex]], [[2er0\|2er0]], [[1oew\|1oew]], [[2er9\|2er9]], [[1epp\|1epp]], [[4ape\|4ape]], [[2v00\|2v00]], [[1gvt\|1gvt]], [[1epl\|1epl]], [[1epm\|1epm]], [[4er1\|4er1]], [[4er2\|4er2]], [[1e82\|1e82]], [[1gvx\|1gvx]], [[2jji\|2jji]], [[2er6\|2er6]], [[1e5o\|1e5o]], [[1gvu\|1gvu]], [[2jjj\|2jjj]], [[3er3\|3er3]], [[1epr\|1epr]], [[1epq\|1epq]]</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=2vs2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vs2 OCA], [https://pdbe.org/2vs2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2vs2 RCSB], [https://www.ebi.ac.uk/pdbsum/2vs2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2vs2 ProSAT]</span></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Endothiapepsin Endothiapepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.22 3.4.23.22] </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=2vs2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vs2 OCA], [~~http~~://pdbe.org/2vs2 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2vs2 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2vs2 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2vs2 ProSAT]</span></td></tr>
	</table>		</table>
			== Function ==
			[https://www.uniprot.org/uniprot/CARP_CRYPA CARP_CRYPA]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</StructureSection>		</StructureSection>
	[[Category: Cryphonectria parasitica]]		[[Category: Cryphonectria parasitica]]
	~~[[Category: Endothiapepsin]]~~
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Coates, L]]		[[Category: Coates L]]
	[[Category: Cooper, J]]		[[Category: Cooper J]]
	[[Category: Erskine, P]]		[[Category: Erskine P]]
	[[Category: Kovalevsky, A]]		[[Category: Kovalevsky A]]
	[[Category: Mustyakimov, M]]		[[Category: Mustyakimov M]]
	[[Category: Tomanicek, S]]		[[Category: Tomanicek S]]
	[[Category: Tuan, H F]]		[[Category: Tuan H-F]]
	~~[[Category: Acid proteinase]]~~
	~~[[Category: Aspartyl protease]]~~
	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~
	~~[[Category: Zymogen~~]]

OCA at 06:55, 19 August 2020

2020-08-19T06:55:02Z

← Older revision		Revision as of 06:55, 19 August 2020
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	==Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.==		==Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.==
	<StructureSection load='2vs2' size='340' side='right' caption='[[2vs2]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='2vs2' size='340' side='right'caption='[[2vs2]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2vs2]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Cryphonectria_parasitica Cryphonectria parasitica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VS2 OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2VS2 FirstGlance]. <br>		<table><tr><td colspan='2'>[[2vs2]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Cryphonectria_parasitica Cryphonectria parasitica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VS2 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2VS2 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0QS:N~2~-[(2R)-2-BENZYL-3-(TERT-BUTYLSULFONYL)PROPANOYL]-N-{(1R)-1-(CYCLOHEXYLMETHYL)-3,3-DIFLUORO-2,2-DIHYDROXY-4-[(2-MORPHOLIN-4-YLETHYL)AMINO]-4-OXOBUTYL}-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANINAMIDE'>0QS</scene>, <scene name='pdbligand=DOD:DEUTERATED+WATER'>DOD</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0QS:N~2~-[(2R)-2-BENZYL-3-(TERT-BUTYLSULFONYL)PROPANOYL]-N-{(1R)-1-(CYCLOHEXYLMETHYL)-3,3-DIFLUORO-2,2-DIHYDROXY-4-[(2-MORPHOLIN-4-YLETHYL)AMINO]-4-OXOBUTYL}-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANINAMIDE'>0QS</scene>, <scene name='pdbligand=DOD:DEUTERATED+WATER'>DOD</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC+ACID'>SUI</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC+ACID'>SUI</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gvw\|1gvw]], [[5er1\|5er1]], [[1ent\|1ent]], [[4er4\|4er4]], [[3er5\|3er5]], [[1er8\|1er8]], [[1epn\|1epn]], [[1e81\|1e81]], [[1e80\|1e80]], [[5er2\|5er2]], [[2er7\|2er7]], [[1od1\|1od1]], [[1gkt\|1gkt]], [[1epo\|1epo]], [[1eed\|1eed]], [[1gvv\|1gvv]], [[1oex\|1oex]], [[2er0\|2er0]], [[1oew\|1oew]], [[2er9\|2er9]], [[1epp\|1epp]], [[4ape\|4ape]], [[2v00\|2v00]], [[1gvt\|1gvt]], [[1epl\|1epl]], [[1epm\|1epm]], [[4er1\|4er1]], [[4er2\|4er2]], [[1e82\|1e82]], [[1gvx\|1gvx]], [[2jji\|2jji]], [[2er6\|2er6]], [[1e5o\|1e5o]], [[1gvu\|1gvu]], [[2jjj\|2jjj]], [[3er3\|3er3]], [[1epr\|1epr]], [[1epq\|1epq]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gvw\|1gvw]], [[5er1\|5er1]], [[1ent\|1ent]], [[4er4\|4er4]], [[3er5\|3er5]], [[1er8\|1er8]], [[1epn\|1epn]], [[1e81\|1e81]], [[1e80\|1e80]], [[5er2\|5er2]], [[2er7\|2er7]], [[1od1\|1od1]], [[1gkt\|1gkt]], [[1epo\|1epo]], [[1eed\|1eed]], [[1gvv\|1gvv]], [[1oex\|1oex]], [[2er0\|2er0]], [[1oew\|1oew]], [[2er9\|2er9]], [[1epp\|1epp]], [[4ape\|4ape]], [[2v00\|2v00]], [[1gvt\|1gvt]], [[1epl\|1epl]], [[1epm\|1epm]], [[4er1\|4er1]], [[4er2\|4er2]], [[1e82\|1e82]], [[1gvx\|1gvx]], [[2jji\|2jji]], [[2er6\|2er6]], [[1e5o\|1e5o]], [[1gvu\|1gvu]], [[2jjj\|2jjj]], [[3er3\|3er3]], [[1epr\|1epr]], [[1epq\|1epq]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Endothiapepsin Endothiapepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.22 3.4.23.22] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Endothiapepsin Endothiapepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.22 3.4.23.22] </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=2vs2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vs2 OCA], [http://pdbe.org/2vs2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vs2 RCSB], [http://www.ebi.ac.uk/pdbsum/2vs2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2vs2 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=2vs2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vs2 OCA], [http://pdbe.org/2vs2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vs2 RCSB], [http://www.ebi.ac.uk/pdbsum/2vs2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2vs2 ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
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	[[Category: Cryphonectria parasitica]]		[[Category: Cryphonectria parasitica]]
	[[Category: Endothiapepsin]]		[[Category: Endothiapepsin]]
			[[Category: Large Structures]]
	[[Category: Coates, L]]		[[Category: Coates, L]]
	[[Category: Cooper, J]]		[[Category: Cooper, J]]

OCA at 08:35, 14 November 2018

2018-11-14T08:35:08Z

← Older revision		Revision as of 08:35, 14 November 2018
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	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vs/2vs2_consurf.spt"</scriptWhenChecked>		<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vs/2vs2_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 09:47, 22 March 2017

2017-03-22T09:47:34Z

← Older revision		Revision as of 09:47, 22 March 2017
Line 1:		Line 1:

	==Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.==		==Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.==
	<StructureSection load='2vs2' size='340' side='right' caption='[[2vs2]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='2vs2' size='340' side='right' caption='[[2vs2]], [[Resolution\|resolution]] 2.00Å' scene=''>
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	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gvw\|1gvw]], [[5er1\|5er1]], [[1ent\|1ent]], [[4er4\|4er4]], [[3er5\|3er5]], [[1er8\|1er8]], [[1epn\|1epn]], [[1e81\|1e81]], [[1e80\|1e80]], [[5er2\|5er2]], [[2er7\|2er7]], [[1od1\|1od1]], [[1gkt\|1gkt]], [[1epo\|1epo]], [[1eed\|1eed]], [[1gvv\|1gvv]], [[1oex\|1oex]], [[2er0\|2er0]], [[1oew\|1oew]], [[2er9\|2er9]], [[1epp\|1epp]], [[4ape\|4ape]], [[2v00\|2v00]], [[1gvt\|1gvt]], [[1epl\|1epl]], [[1epm\|1epm]], [[4er1\|4er1]], [[4er2\|4er2]], [[1e82\|1e82]], [[1gvx\|1gvx]], [[2jji\|2jji]], [[2er6\|2er6]], [[1e5o\|1e5o]], [[1gvu\|1gvu]], [[2jjj\|2jjj]], [[3er3\|3er3]], [[1epr\|1epr]], [[1epq\|1epq]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gvw\|1gvw]], [[5er1\|5er1]], [[1ent\|1ent]], [[4er4\|4er4]], [[3er5\|3er5]], [[1er8\|1er8]], [[1epn\|1epn]], [[1e81\|1e81]], [[1e80\|1e80]], [[5er2\|5er2]], [[2er7\|2er7]], [[1od1\|1od1]], [[1gkt\|1gkt]], [[1epo\|1epo]], [[1eed\|1eed]], [[1gvv\|1gvv]], [[1oex\|1oex]], [[2er0\|2er0]], [[1oew\|1oew]], [[2er9\|2er9]], [[1epp\|1epp]], [[4ape\|4ape]], [[2v00\|2v00]], [[1gvt\|1gvt]], [[1epl\|1epl]], [[1epm\|1epm]], [[4er1\|4er1]], [[4er2\|4er2]], [[1e82\|1e82]], [[1gvx\|1gvx]], [[2jji\|2jji]], [[2er6\|2er6]], [[1e5o\|1e5o]], [[1gvu\|1gvu]], [[2jjj\|2jjj]], [[3er3\|3er3]], [[1epr\|1epr]], [[1epq\|1epq]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Endothiapepsin Endothiapepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.22 3.4.23.22] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Endothiapepsin Endothiapepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.22 3.4.23.22] </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=2vs2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vs2 OCA], [http://pdbe.org/2vs2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vs2 RCSB], [http://www.ebi.ac.uk/pdbsum/2vs2 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=2vs2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vs2 OCA], [http://pdbe.org/2vs2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vs2 RCSB], [http://www.ebi.ac.uk/pdbsum/2vs2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2vs2 ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==

OCA at 12:13, 8 February 2016

2016-02-08T12:13:00Z

← Older revision		Revision as of 12:13, 8 February 2016
Line 7:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gvw\|1gvw]], [[5er1\|5er1]], [[1ent\|1ent]], [[4er4\|4er4]], [[3er5\|3er5]], [[1er8\|1er8]], [[1epn\|1epn]], [[1e81\|1e81]], [[1e80\|1e80]], [[5er2\|5er2]], [[2er7\|2er7]], [[1od1\|1od1]], [[1gkt\|1gkt]], [[1epo\|1epo]], [[1eed\|1eed]], [[1gvv\|1gvv]], [[1oex\|1oex]], [[2er0\|2er0]], [[1oew\|1oew]], [[2er9\|2er9]], [[1epp\|1epp]], [[4ape\|4ape]], [[2v00\|2v00]], [[1gvt\|1gvt]], [[1epl\|1epl]], [[1epm\|1epm]], [[4er1\|4er1]], [[4er2\|4er2]], [[1e82\|1e82]], [[1gvx\|1gvx]], [[2jji\|2jji]], [[2er6\|2er6]], [[1e5o\|1e5o]], [[1gvu\|1gvu]], [[2jjj\|2jjj]], [[3er3\|3er3]], [[1epr\|1epr]], [[1epq\|1epq]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gvw\|1gvw]], [[5er1\|5er1]], [[1ent\|1ent]], [[4er4\|4er4]], [[3er5\|3er5]], [[1er8\|1er8]], [[1epn\|1epn]], [[1e81\|1e81]], [[1e80\|1e80]], [[5er2\|5er2]], [[2er7\|2er7]], [[1od1\|1od1]], [[1gkt\|1gkt]], [[1epo\|1epo]], [[1eed\|1eed]], [[1gvv\|1gvv]], [[1oex\|1oex]], [[2er0\|2er0]], [[1oew\|1oew]], [[2er9\|2er9]], [[1epp\|1epp]], [[4ape\|4ape]], [[2v00\|2v00]], [[1gvt\|1gvt]], [[1epl\|1epl]], [[1epm\|1epm]], [[4er1\|4er1]], [[4er2\|4er2]], [[1e82\|1e82]], [[1gvx\|1gvx]], [[2jji\|2jji]], [[2er6\|2er6]], [[1e5o\|1e5o]], [[1gvu\|1gvu]], [[2jjj\|2jjj]], [[3er3\|3er3]], [[1epr\|1epr]], [[1epq\|1epq]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Endothiapepsin Endothiapepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.22 3.4.23.22] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Endothiapepsin Endothiapepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.22 3.4.23.22] </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=2vs2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vs2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vs2 RCSB], [http://www.ebi.ac.uk/pdbsum/2vs2 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=2vs2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vs2 OCA], [http://pdbe.org/2vs2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2vs2 RCSB], [http://www.ebi.ac.uk/pdbsum/2vs2 PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 17:		Line 17:
	<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=2vs2 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 27:		Line 27:
	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 2vs2" style="background-color:#fffaf0;"></div>

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

OCA at 15:59, 19 January 2015

2015-01-19T15:59:28Z

← Older revision		Revision as of 15:59, 19 January 2015
Line 36:		Line 36:
	[[Category: Cryphonectria parasitica]]		[[Category: Cryphonectria parasitica]]
	[[Category: Endothiapepsin]]		[[Category: Endothiapepsin]]
	[[Category: Coates, L.]]		[[Category: Coates, L]]
	[[Category: Cooper, J.]]		[[Category: Cooper, J]]
	[[Category: Erskine, P.]]		[[Category: Erskine, P]]
	[[Category: Kovalevsky, A.]]		[[Category: Kovalevsky, A]]
	[[Category: Mustyakimov, M.]]		[[Category: Mustyakimov, M]]
	[[Category: Tomanicek, S.]]		[[Category: Tomanicek, S]]
	[[Category: Tuan, H F.]]		[[Category: Tuan, H F]]
	[[Category: Acid proteinase]]		[[Category: Acid proteinase]]
	[[Category: Aspartyl protease]]		[[Category: Aspartyl protease]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]
	[[Category: Zymogen]]		[[Category: Zymogen]]

OCA at 06:53, 10 October 2014

2014-10-10T06:53:37Z

← Older revision		Revision as of 06:53, 10 October 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2vs2]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Cryphonectria_parasitica Cryphonectria parasitica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VS2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VS2 FirstGlance]. <br>		<table><tr><td colspan='2'>[[2vs2]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Cryphonectria_parasitica Cryphonectria parasitica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VS2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VS2 FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0QS:N~2~-[(2R)-2-BENZYL-3-(TERT-BUTYLSULFONYL)PROPANOYL]-N-{(1R)-1-(CYCLOHEXYLMETHYL)-3,3-DIFLUORO-2,2-DIHYDROXY-4-[(2-MORPHOLIN-4-YLETHYL)AMINO]-4-OXOBUTYL}-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANINAMIDE'>0QS</scene>, <scene name='pdbligand=DOD:DEUTERATED+WATER'>DOD</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0QS:N~2~-[(2R)-2-BENZYL-3-(TERT-BUTYLSULFONYL)PROPANOYL]-N-{(1R)-1-(CYCLOHEXYLMETHYL)-3,3-DIFLUORO-2,2-DIHYDROXY-4-[(2-MORPHOLIN-4-YLETHYL)AMINO]-4-OXOBUTYL}-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANINAMIDE'>0QS</scene>, <scene name='pdbligand=DOD:DEUTERATED+WATER'>DOD</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC+ACID'>SUI</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC+ACID'>SUI</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gvw\|1gvw]], [[5er1\|5er1]], [[1ent\|1ent]], [[4er4\|4er4]], [[3er5\|3er5]], [[1er8\|1er8]], [[1epn\|1epn]], [[1e81\|1e81]], [[1e80\|1e80]], [[5er2\|5er2]], [[2er7\|2er7]], [[1od1\|1od1]], [[1gkt\|1gkt]], [[1epo\|1epo]], [[1eed\|1eed]], [[1gvv\|1gvv]], [[1oex\|1oex]], [[2er0\|2er0]], [[1oew\|1oew]], [[2er9\|2er9]], [[1epp\|1epp]], [[4ape\|4ape]], [[2v00\|2v00]], [[1gvt\|1gvt]], [[1epl\|1epl]], [[1epm\|1epm]], [[4er1\|4er1]], [[4er2\|4er2]], [[1e82\|1e82]], [[1gvx\|1gvx]], [[2jji\|2jji]], [[2er6\|2er6]], [[1e5o\|1e5o]], [[1gvu\|1gvu]], [[2jjj\|2jjj]], [[3er3\|3er3]], [[1epr\|1epr]], [[1epq\|1epq]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gvw\|1gvw]], [[5er1\|5er1]], [[1ent\|1ent]], [[4er4\|4er4]], [[3er5\|3er5]], [[1er8\|1er8]], [[1epn\|1epn]], [[1e81\|1e81]], [[1e80\|1e80]], [[5er2\|5er2]], [[2er7\|2er7]], [[1od1\|1od1]], [[1gkt\|1gkt]], [[1epo\|1epo]], [[1eed\|1eed]], [[1gvv\|1gvv]], [[1oex\|1oex]], [[2er0\|2er0]], [[1oew\|1oew]], [[2er9\|2er9]], [[1epp\|1epp]], [[4ape\|4ape]], [[2v00\|2v00]], [[1gvt\|1gvt]], [[1epl\|1epl]], [[1epm\|1epm]], [[4er1\|4er1]], [[4er2\|4er2]], [[1e82\|1e82]], [[1gvx\|1gvx]], [[2jji\|2jji]], [[2er6\|2er6]], [[1e5o\|1e5o]], [[1gvu\|1gvu]], [[2jjj\|2jjj]], [[3er3\|3er3]], [[1epr\|1epr]], [[1epq\|1epq]]</td></tr>
	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Endothiapepsin Endothiapepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.22 3.4.23.22] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Endothiapepsin Endothiapepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.22 3.4.23.22] </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=2vs2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vs2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vs2 RCSB], [http://www.ebi.ac.uk/pdbsum/2vs2 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=2vs2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vs2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vs2 RCSB], [http://www.ebi.ac.uk/pdbsum/2vs2 PDBsum]</span></td></tr>
	<table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 09:14, 16 July 2014

2014-07-16T09:14:42Z

← Older revision		Revision as of 09:14, 16 July 2014
Line 1:		Line 1:
	~~{{STRUCTURE_2vs2\| PDB=2vs2 \| SCENE= }}~~		==Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.==
	===Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.===		<StructureSection load='2vs2' size='340' side='right' caption='[[2vs2]], [[Resolution\|resolution]] 2.00Å' scene=''>
	{~~{ABSTRACT_PUBMED_18479128}~~}		== Structural highlights ==
			<table><tr><td colspan='2'>[[2vs2]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Cryphonectria_parasitica Cryphonectria parasitica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VS2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VS2 FirstGlance]. <br>
			</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0QS:N~2~-[(2R)-2-BENZYL-3-(TERT-BUTYLSULFONYL)PROPANOYL]-N-{(1R)-1-(CYCLOHEXYLMETHYL)-3,3-DIFLUORO-2,2-DIHYDROXY-4-[(2-MORPHOLIN-4-YLETHYL)AMINO]-4-OXOBUTYL}-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANINAMIDE'>0QS</scene>, <scene name='pdbligand=DOD:DEUTERATED+WATER'>DOD</scene><br>
			<tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC+ACID'>SUI</scene></td></tr>
			<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1gvw\|1gvw]], [[5er1\|5er1]], [[1ent\|1ent]], [[4er4\|4er4]], [[3er5\|3er5]], [[1er8\|1er8]], [[1epn\|1epn]], [[1e81\|1e81]], [[1e80\|1e80]], [[5er2\|5er2]], [[2er7\|2er7]], [[1od1\|1od1]], [[1gkt\|1gkt]], [[1epo\|1epo]], [[1eed\|1eed]], [[1gvv\|1gvv]], [[1oex\|1oex]], [[2er0\|2er0]], [[1oew\|1oew]], [[2er9\|2er9]], [[1epp\|1epp]], [[4ape\|4ape]], [[2v00\|2v00]], [[1gvt\|1gvt]], [[1epl\|1epl]], [[1epm\|1epm]], [[4er1\|4er1]], [[4er2\|4er2]], [[1e82\|1e82]], [[1gvx\|1gvx]], [[2jji\|2jji]], [[2er6\|2er6]], [[1e5o\|1e5o]], [[1gvu\|1gvu]], [[2jjj\|2jjj]], [[3er3\|3er3]], [[1epr\|1epr]], [[1epq\|1epq]]</td></tr>
			<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Endothiapepsin Endothiapepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.22 3.4.23.22] </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=2vs2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vs2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vs2 RCSB], [http://www.ebi.ac.uk/pdbsum/2vs2 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/vs/2vs2_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 ==
			Hydrogen atoms play key roles in enzyme mechanism, but as this study shows, even high-quality X-ray data to a resolution of 1 A cannot directly visualize them. Neutron diffraction, however, can locate deuterium atoms even at resolutions around 2 A. Both neutron and X-ray diffraction data have been used to investigate the transition state of the aspartic proteinase endothiapepsin. The different techniques reveal a different part of the story, revealing the clearest picture yet of the catalytic mechanism by which the enzyme operates. Room temperature neutron and X-ray diffraction data were used in a newly developed joint refinement software package to visualize deuterium atoms within the active site of the enzyme when a gem-diol transition state analogue inhibitor is bound at the active site. These data were also used to estimate their individual occupancy, while analysis of the differences between the bond lengths of the catalytic aspartates was performed using atomic resolution X-ray data. The two methods are in agreement on the protonation state of the active site with a transition state analogue inhibitor bound confirming the catalytic mechanism at which the enzyme operates.

	~~==About this Structure==~~		The catalytic mechanism of an aspartic proteinase explored with neutron and X-ray diffraction.,Coates L, Tuan HF, Tomanicek S, Kovalevsky A, Mustyakimov M, Erskine P, Cooper J J Am Chem Soc. 2008 Jun 11;130(23):7235-7. Epub 2008 May 15. PMID:18479128<ref>PMID:18479128</ref>
	~~[[2vs2]] is a 1 chain structure~~ with ~~sequence from [http~~:~~//en~~.~~wikipedia~~.~~org/wiki/Cryphonectria_parasitica Cryphonectria parasitica]. Full crystallographic information is available from [http~~://~~oca~~.~~weizmann~~.ac.~~il/oca-bin~~/~~ocashort?id=2VS2 OCA].~~
			From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>

	==See Also==		==See Also==
	*[[Pepsin\|Pepsin]]		*[[Pepsin\|Pepsin]]
			== References ==
	==~~Reference~~==		<references/>
	~~<ref group="xtra">PMID:018479128</ref>~~<references ~~group="xtra"~~/><~~references~~/>		__TOC__
			</StructureSection>
	[[Category: Cryphonectria parasitica]]		[[Category: Cryphonectria parasitica]]
	[[Category: Endothiapepsin]]		[[Category: Endothiapepsin]]

OCA at 06:48, 29 September 2013

2013-09-29T06:48:06Z

← Older revision		Revision as of 06:48, 29 September 2013
Line 1:		Line 1:
	~~[[Image:2vs2.png\|left\|200px]]~~

	{{STRUCTURE_2vs2\| PDB=2vs2 \| SCENE= }}		{{STRUCTURE_2vs2\| PDB=2vs2 \| SCENE= }}

	===Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.===		===Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.===

	{{ABSTRACT_PUBMED_18479128}}		{{ABSTRACT_PUBMED_18479128}}

Line 14:		Line 10:

	==Reference==		==Reference==
	<ref group="xtra">PMID:018479128</ref><~~ref~~ group="xtra"~~>PMID:018084100<~~/~~ref~~><references ~~group="xtra"~~/>		<ref group="xtra">PMID:018479128</ref><references group="xtra"/><references/>
	[[Category: Cryphonectria parasitica]]		[[Category: Cryphonectria parasitica]]
	[[Category: Endothiapepsin]]		[[Category: Endothiapepsin]]

OCA at 13:17, 6 March 2013

2013-03-06T13:17:39Z

← Older revision		Revision as of 13:17, 6 March 2013
Line 3:		Line 3:
	{{STRUCTURE_2vs2\| PDB=2vs2 \| SCENE= }}		{{STRUCTURE_2vs2\| PDB=2vs2 \| SCENE= }}

	===~~NEUTRON DIFFRACTION STRUCTURE OF ENDOTHIAPEPSIN IN COMPLEX WITH A GEM~~-~~DIOL INHIBITOR~~.===		===Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.===

	{{ABSTRACT_PUBMED_18479128}}		{{ABSTRACT_PUBMED_18479128}}