2ock - Revision history

OCA at 10:35, 30 August 2023

2023-08-30T10:35:56Z

← Older revision		Revision as of 10:35, 30 August 2023
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	<StructureSection load='2ock' size='340' side='right'caption='[[2ock]], [[Resolution\|resolution]] 1.85Å' scene=''>		<StructureSection load='2ock' size='340' side='right'caption='[[2ock]], [[Resolution\|resolution]] 1.85Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2ock]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2OCK FirstGlance]. <br>		<table><tr><td colspan='2'>[[2ock]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2OCK FirstGlance]. <br>
	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>~~, ~~<scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</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]] 1.85Å</td></tr>
	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max-height: 3em;~~'>~~[[2ocg\|2ocg]], [[2oci\|2oci]], [[2ocl\|2ocl]]~~</~~div~~><~~/td></tr>~~		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></td></tr>
	~~<tr id~~='~~gene'><td class~~=~~"sblockLbl"><b>[[Gene\|Gene~~:~~]]</b~~></td>~~<td class="sblockDat">BPHL ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~</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=2ock FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ock OCA], [https://pdbe.org/2ock PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ock RCSB], [https://www.ebi.ac.uk/pdbsum/2ock PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ock 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=2ock FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ock OCA], [https://pdbe.org/2ock PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ock RCSB], [https://www.ebi.ac.uk/pdbsum/2ock PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ock ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[https://www.uniprot.org/uniprot/BPHL_HUMAN BPHL_HUMAN]] Serine hydrolase that catalyzes the hydrolytic activation of amino acid ester prodrugs of nucleoside analogs such as valacyclovir and valganciclovir. Activates valacyclovir to acyclovir. May play a role in detoxification processes. It is a specific alpha-amino acid ester hydrolase that prefers small, hydrophobic, and aromatic side chains and does not have a stringent requirement for the leaving group other than preferring a primary alcohol.<ref>PMID:18256025</ref>		[https://www.uniprot.org/uniprot/BPHL_HUMAN BPHL_HUMAN] Serine hydrolase that catalyzes the hydrolytic activation of amino acid ester prodrugs of nucleoside analogs such as valacyclovir and valganciclovir. Activates valacyclovir to acyclovir. May play a role in detoxification processes. It is a specific alpha-amino acid ester hydrolase that prefers small, hydrophobic, and aromatic side chains and does not have a stringent requirement for the leaving group other than preferring a primary alcohol.<ref>PMID:18256025</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Human~~]]		[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Amidon~~, G L~~]]		[[Category: Amidon GL]]
	[[Category: Lai, L]]		[[Category: Lai L]]
	[[Category: Xu, Z]]		[[Category: Xu Z]]
	~~[[Category: Alpha beta hydrolase fold]]~~
	~~[[Category: Hydrolase~~]]

OCA at 12:53, 9 June 2021

2021-06-09T12:53:04Z

← Older revision		Revision as of 12:53, 9 June 2021
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	==Crystal structure of valacyclovir hydrolase D123N mutant==		==Crystal structure of valacyclovir hydrolase D123N mutant==
	<StructureSection load='2ock' size='340' side='right' caption='[[2ock]], [[Resolution\|resolution]] 1.85Å' scene=''>		<StructureSection load='2ock' size='340' side='right'caption='[[2ock]], [[Resolution\|resolution]] 1.85Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2ock]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2OCK FirstGlance]. <br>		<table><tr><td colspan='2'>[[2ock]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2OCK FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2ocg\|2ocg]], [[2oci\|2oci]], [[2ocl\|2ocl]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2ocg\|2ocg]], [[2oci\|2oci]], [[2ocl\|2ocl]]</div></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BPHL ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BPHL ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=2ock FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ock OCA], [~~http~~://pdbe.org/2ock PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2ock RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2ock PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2ock 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=2ock FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ock OCA], [https://pdbe.org/2ock PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ock RCSB], [https://www.ebi.ac.uk/pdbsum/2ock PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ock ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[~~http~~://www.uniprot.org/uniprot/BPHL_HUMAN BPHL_HUMAN]] Serine hydrolase that catalyzes the hydrolytic activation of amino acid ester prodrugs of nucleoside analogs such as valacyclovir and valganciclovir. Activates valacyclovir to acyclovir. May play a role in detoxification processes. It is a specific alpha-amino acid ester hydrolase that prefers small, hydrophobic, and aromatic side chains and does not have a stringent requirement for the leaving group other than preferring a primary alcohol.<ref>PMID:18256025</ref>		[[https://www.uniprot.org/uniprot/BPHL_HUMAN BPHL_HUMAN]] Serine hydrolase that catalyzes the hydrolytic activation of amino acid ester prodrugs of nucleoside analogs such as valacyclovir and valganciclovir. Activates valacyclovir to acyclovir. May play a role in detoxification processes. It is a specific alpha-amino acid ester hydrolase that prefers small, hydrophobic, and aromatic side chains and does not have a stringent requirement for the leaving group other than preferring a primary alcohol.<ref>PMID:18256025</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/oc/2ock_consurf.spt"</scriptWhenChecked>		<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/oc/2ock_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>
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	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
			[[Category: Large Structures]]
	[[Category: Amidon, G L]]		[[Category: Amidon, G L]]
	[[Category: Lai, L]]		[[Category: Lai, L]]

OCA at 08:58, 18 October 2017

2017-10-18T08:58:05Z

← Older revision		Revision as of 08:58, 18 October 2017
Line 1:		Line 1:

	==Crystal structure of valacyclovir hydrolase D123N mutant==		==Crystal structure of valacyclovir hydrolase D123N mutant==
	<StructureSection load='2ock' size='340' side='right' caption='[[2ock]], [[Resolution\|resolution]] 1.85Å' scene=''>		<StructureSection load='2ock' size='340' side='right' caption='[[2ock]], [[Resolution\|resolution]] 1.85Å' scene=''>
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	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2ocg\|2ocg]], [[2oci\|2oci]], [[2ocl\|2ocl]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2ocg\|2ocg]], [[2oci\|2oci]], [[2ocl\|2ocl]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BPHL ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BPHL ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=2ock FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ock OCA], [http://pdbe.org/2ock PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2ock RCSB], [http://www.ebi.ac.uk/pdbsum/2ock 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=2ock FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ock OCA], [http://pdbe.org/2ock PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2ock RCSB], [http://www.ebi.ac.uk/pdbsum/2ock PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2ock 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=2ock ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 23:18, 11 September 2015

2015-09-11T23:18:32Z

← Older revision		Revision as of 23:18, 11 September 2015
Line 2:		Line 2:
	<StructureSection load='2ock' size='340' side='right' caption='[[2ock]], [[Resolution\|resolution]] 1.85Å' scene=''>		<StructureSection load='2ock' size='340' side='right' caption='[[2ock]], [[Resolution\|resolution]] 1.85Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2ock]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Homo_sapiens Homo sapiens~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2OCK FirstGlance]. <br>		<table><tr><td colspan='2'>[[2ock]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2OCK FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2ocg\|2ocg]], [[2oci\|2oci]], [[2ocl\|2ocl]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2ocg\|2ocg]], [[2oci\|2oci]], [[2ocl\|2ocl]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BPHL ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 ~~Homo sapiens~~])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BPHL ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=2ock FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ock OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2ock RCSB], [http://www.ebi.ac.uk/pdbsum/2ock 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=2ock FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ock OCA], [http://pdbe.org/2ock PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2ock RCSB], [http://www.ebi.ac.uk/pdbsum/2ock PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 28:		Line 28:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
			<div class="pdbe-citations 2ock" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Homo sapiens~~]]		[[Category: Human]]
	[[Category: Amidon, G L]]		[[Category: Amidon, G L]]
	[[Category: Lai, L]]		[[Category: Lai, L]]

OCA at 20:45, 25 December 2014

2014-12-25T20:45:28Z

← Older revision		Revision as of 20:45, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2ock]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2OCK FirstGlance]. <br>		<table><tr><td colspan='2'>[[2ock]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2OCK FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2ocg\|2ocg]], [[2oci\|2oci]], [[2ocl\|2ocl]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2ocg\|2ocg]], [[2oci\|2oci]], [[2ocl\|2ocl]]</td></tr>
	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BPHL ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BPHL ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</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=2ock FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ock OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2ock RCSB], [http://www.ebi.ac.uk/pdbsum/2ock 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=2ock FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ock OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2ock RCSB], [http://www.ebi.ac.uk/pdbsum/2ock PDBsum]</span></td></tr>
	<table>		</table>
			== Function ==
			[[http://www.uniprot.org/uniprot/BPHL_HUMAN BPHL_HUMAN]] Serine hydrolase that catalyzes the hydrolytic activation of amino acid ester prodrugs of nucleoside analogs such as valacyclovir and valganciclovir. Activates valacyclovir to acyclovir. May play a role in detoxification processes. It is a specific alpha-amino acid ester hydrolase that prefers small, hydrophobic, and aromatic side chains and does not have a stringent requirement for the leaving group other than preferring a primary alcohol.<ref>PMID:18256025</ref>
	== 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: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Amidon, G L.]]		[[Category: Amidon, G L]]
	[[Category: Lai, L.]]		[[Category: Lai, L]]
	[[Category: Xu, Z.]]		[[Category: Xu, Z]]
	[[Category: Alpha beta hydrolase fold]]		[[Category: Alpha beta hydrolase fold]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]

OCA at 20:13, 30 September 2014

2014-09-30T20:13:19Z

← Older revision		Revision as of 20:13, 30 September 2014
Line 1:		Line 1:
	[[Image:~~2ock~~.~~png~~\|~~left~~\|~~200px~~]]		==Crystal structure of valacyclovir hydrolase D123N mutant==
			<StructureSection load='2ock' size='340' side='right' caption='[[2ock]], [[Resolution\|resolution]] 1.85Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[2ock]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2OCK FirstGlance]. <br>
			</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene><br>
			<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2ocg\|2ocg]], [[2oci\|2oci]], [[2ocl\|2ocl]]</td></tr>
			<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BPHL ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</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=2ock FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ock OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2ock RCSB], [http://www.ebi.ac.uk/pdbsum/2ock 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/oc/2ock_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 ==
			Chemical modification to improve biopharmaceutical properties, especially oral absorption and bioavailability, is a common strategy employed by pharmaceutical chemists. The approach often employs a simple structural modification and utilizes ubiquitous endogenous esterases as activation enzymes, although such enzymes are often unidentified. This report describes the crystal structure and specificity of a novel activating enzyme for valacyclovir and valganciclovir. Our structural insights show that human valacyclovirase has a unique binding mode and specificity for amino acid esters. Biochemical data demonstrate that the enzyme hydrolyzes esters of alpha-amino acids exclusively and displays a broad specificity spectrum for the aminoacyl moiety similar to tricorn-interacting aminopeptidase F1. Crystal structures of the enzyme, two mechanistic mutants, and a complex with a product analogue, when combined with biochemical analysis, reveal the key determinants for substrate recognition; that is, a flexible and mostly hydrophobic acyl pocket, a localized negative electrostatic potential, a large open leaving group-accommodating groove, and a pivotal acidic residue, Asp-123, after the nucleophile Ser-122. This is the first time that a residue immediately after the nucleophile has been found to have its side chain directed into the substrate binding pocket and play an essential role in substrate discrimination in serine hydrolases. These results as well as a phylogenetic analysis establish that the enzyme functions as a specific alpha-amino acid ester hydrolase. Valacyclovirase is a valuable target for amino acid ester prodrug-based oral drug delivery enhancement strategies.

	~~{{STRUCTURE_2ock\| PDB=2ock \| SCENE= }}~~		Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase.,Lai L, Xu Z, Zhou J, Lee KD, Amidon GL J Biol Chem. 2008 Apr 4;283(14):9318-27. Epub 2008 Feb 5. PMID:18256025<ref>PMID:18256025</ref>

	~~===Crystal structure~~ of ~~valacyclovir hydrolase D123N mutant===~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
	~~{{ABSTRACT_PUBMED_18256025}}~~		== References ==
			<references/>
	~~==About this Structure==~~		__TOC__
	~~[[2ock]] is a 1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Homo_sapiens Homo sapiens]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA].~~		</StructureSection>

	==~~Reference~~==
	<~~ref group="xtra">PMID:018256025<~~/~~ref~~><~~references group="xtra"~~/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Amidon, G L.]]		[[Category: Amidon, G L.]]

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

2013-01-07T12:35:32Z

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

← Older revision	Revision as of 12:35, 7 January 2013
(No difference)

OCA at 12:35, 7 January 2013

2013-01-07T12:35:30Z

← Older revision		Revision as of 12:35, 7 January 2013
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	~~{{Seed}}~~
	[[Image:2ock.png\|left\|200px]]		[[Image:2ock.png\|left\|200px]]

	~~<!--~~
	~~The line below this paragraph, containing "STRUCTURE_2ock", 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_2ock\| PDB=2ock \| SCENE= }}		{{STRUCTURE_2ock\| PDB=2ock \| SCENE= }}

	===Crystal structure of valacyclovir hydrolase D123N mutant===		===Crystal structure of valacyclovir hydrolase D123N mutant===


	~~<!--~~
	~~The line below this paragraph, {{ABSTRACT_PUBMED_18256025}}, adds the Publication Abstract to the page~~
	~~(as it appears on PubMed at http://www.pubmed.gov), where 18256025 is the PubMed ID number.~~
	~~-->~~
	{{ABSTRACT_PUBMED_18256025}}		{{ABSTRACT_PUBMED_18256025}}

	==About this Structure==		==About this Structure==
	~~2OCK~~ is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA].		[[2ock]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA].

	==Reference==		==Reference==
	<ref group="xtra">PMID:~~18256025~~</ref><references group="xtra"/>		<ref group="xtra">PMID:018256025</ref><references group="xtra"/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Amidon, G L.]]		[[Category: Amidon, G L.]]
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	[[Category: Xu, Z.]]		[[Category: Xu, Z.]]
	[[Category: Alpha beta hydrolase fold]]		[[Category: Alpha beta hydrolase fold]]
			[[Category: Hydrolase]]
	~~''Page seeded by~~ [~~http~~:~~//oca.weizmann.ac.il/oca OCA~~ ] ~~on Wed Feb 18 06:41:55 2009''~~

OCA at 04:41, 18 February 2009

2009-02-18T04:41:56Z

← Older revision		Revision as of 04:41, 18 February 2009
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	==About this Structure==		==About this Structure==
	2OCK is a ~~[[Single protein]]~~ structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA].		2OCK is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA].

	==Reference==		==Reference==
	~~Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase., Lai L, Xu Z, Zhou J, Lee KD, Amidon GL, J Biol Chem. 2008 Apr 4;283(14):9318-27. Epub 2008 Feb 5.~~ PMID:~~[http:~~//~~www.ncbi.nlm.nih.gov/pubmed/18256025 18256025]~~		<ref group="xtra">PMID:18256025</ref><references group="xtra"/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	~~[[Category: Single protein]]~~
	[[Category: Amidon, G L.]]		[[Category: Amidon, G L.]]
	[[Category: Lai, L.]]		[[Category: Lai, L.]]
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	[[Category: Alpha beta hydrolase fold]]		[[Category: Alpha beta hydrolase fold]]

	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Nov 5 10~~:43:~~58 2008~~''		''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 18 06:41:55 2009''

OCA at 08:43, 5 November 2008

2008-11-05T08:43:58Z

← Older revision		Revision as of 08:43, 5 November 2008
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	[[Image:2ock.~~jpg~~\|left\|200px]]		{{Seed}}
			[[Image:2ock.png\|left\|200px]]

	<!--		<!--
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	{{STRUCTURE_2ock\| PDB=2ock \| SCENE= }}		{{STRUCTURE_2ock\| PDB=2ock \| SCENE= }}

	~~'''~~Crystal structure of valacyclovir hydrolase D123N mutant~~'''~~		===Crystal structure of valacyclovir hydrolase D123N mutant===


			<!--
			The line below this paragraph, {{ABSTRACT_PUBMED_18256025}}, adds the Publication Abstract to the page
			(as it appears on PubMed at http://www.pubmed.gov), where 18256025 is the PubMed ID number.
			-->
			{{ABSTRACT_PUBMED_18256025}}

	==About this Structure==		==About this Structure==
	2OCK is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA].		2OCK is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OCK OCA].

			==Reference==
			Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase., Lai L, Xu Z, Zhou J, Lee KD, Amidon GL, J Biol Chem. 2008 Apr 4;283(14):9318-27. Epub 2008 Feb 5. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18256025 18256025]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Single protein]]		[[Category: Single protein]]
Line 20:		Line 30:
	[[Category: Xu, Z.]]		[[Category: Xu, Z.]]
	[[Category: Alpha beta hydrolase fold]]		[[Category: Alpha beta hydrolase fold]]
	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Sun May~~ 4 10:37:26 2008''
			''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Nov 5 10:43:58 2008''