4jca - Revision history

OCA at 15:40, 20 September 2023

2023-09-20T15:40:08Z

← Older revision		Revision as of 15:40, 20 September 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4jca]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4JCA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4JCA FirstGlance]. <br>		<table><tr><td colspan='2'>[[4jca]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4JCA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4JCA FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=RB:RUBIDIUM+ION'>RB</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]] 2.411Å</td></tr>
			<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=RB:RUBIDIUM+ION'>RB</scene></td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4jca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4jca OCA], [https://pdbe.org/4jca PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4jca RCSB], [https://www.ebi.ac.uk/pdbsum/4jca PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4jca 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=4jca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4jca OCA], [https://pdbe.org/4jca PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4jca RCSB], [https://www.ebi.ac.uk/pdbsum/4jca PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4jca ProSAT]</span></td></tr>
	</table>		</table>

OCA at 11:04, 24 November 2022

2022-11-24T11:04:43Z

← Older revision		Revision as of 11:04, 24 November 2022
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	<StructureSection load='4jca' size='340' side='right'caption='[[4jca]], [[Resolution\|resolution]] 2.41Å' scene=''>		<StructureSection load='4jca' size='340' side='right'caption='[[4jca]], [[Resolution\|resolution]] 2.41Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4jca]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Synthetic_construct_sequences~~ Synthetic construct ~~sequences~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4JCA OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4JCA FirstGlance]. <br>		<table><tr><td colspan='2'>[[4jca]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4JCA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4JCA FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=RB:RUBIDIUM+ION'>RB</scene>~~</td></tr>~~		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=RB:RUBIDIUM+ION'>RB</scene></td></tr>
	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4etj\|4etj]]~~</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=4jca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4jca OCA], [https://pdbe.org/4jca PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4jca RCSB], [https://www.ebi.ac.uk/pdbsum/4jca PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4jca ProSAT]</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=4jca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4jca OCA], [~~http~~://pdbe.org/4jca PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4jca RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4jca PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4jca ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Synthetic construct ~~sequences~~]]		[[Category: Synthetic construct]]
	[[Category: Acton~~, T B~~]]		[[Category: Acton TB]]
	[[Category: Baker, D]]		[[Category: Baker D]]
	[[Category: Everett~~, J K~~]]		[[Category: Everett JK]]
	[[Category: Hunt~~, J F~~]]		[[Category: Hunt JF]]
	[[Category: Kuzin~~, A P~~]]		[[Category: Kuzin AP]]
	[[Category: Lew, S]]		[[Category: Lew S]]
	[[Category: Montelione~~, G T]]~~		[[Category: Montelione GT]]
	~~[[Category: Structural genomic~~]]		[[Category: Rajagopalan S]]
	[[Category: Rajagopalan, S]]		[[Category: Seetharaman J]]
	[[Category: Seetharaman, J]]		[[Category: Tong L]]
	[[Category: Tong, L]]		[[Category: Tong S]]
	[[Category: Tong, S]]
	~~[[Category: Hydrolase]]~~
	~~[[Category: PSI, Protein structure initiative]]~~
	~~[[Category: Psi-biology~~]]

OCA at 09:31, 3 April 2019

2019-04-03T09:31:05Z

← Older revision		Revision as of 09:31, 3 April 2019
Line 1:		Line 1:

	==Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273==		==Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273==
	<StructureSection load='4jca' size='340' side='right' caption='[[4jca]], [[Resolution\|resolution]] 2.41Å' scene=''>		<StructureSection load='4jca' size='340' side='right'caption='[[4jca]], [[Resolution\|resolution]] 2.41Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4jca]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Synthetic_construct_sequences Synthetic construct sequences]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4JCA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4JCA FirstGlance]. <br>		<table><tr><td colspan='2'>[[4jca]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Synthetic_construct_sequences Synthetic construct sequences]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4JCA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4JCA FirstGlance]. <br>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
			[[Category: Large Structures]]
	[[Category: Synthetic construct sequences]]		[[Category: Synthetic construct sequences]]
	[[Category: Acton, T B]]		[[Category: Acton, T B]]

OCA at 12:07, 11 August 2016

2016-08-11T12:07:38Z

← Older revision		Revision as of 12:07, 11 August 2016
Line 1:		Line 1:

	==Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273==		==Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273==
	<StructureSection load='4jca' size='340' side='right' caption='[[4jca]], [[Resolution\|resolution]] 2.41Å' scene=''>		<StructureSection load='4jca' size='340' side='right' caption='[[4jca]], [[Resolution\|resolution]] 2.41Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=RB:RUBIDIUM+ION'>RB</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=RB:RUBIDIUM+ION'>RB</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4etj\|4etj]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4etj\|4etj]]</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=4jca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4jca OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4jca RCSB], [http://www.ebi.ac.uk/pdbsum/4jca 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=4jca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4jca OCA], [http://pdbe.org/4jca PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4jca RCSB], [http://www.ebi.ac.uk/pdbsum/4jca PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4jca ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	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 4jca" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 09:40, 20 January 2015

2015-01-20T09:40:51Z

← Older revision		Revision as of 09:40, 20 January 2015
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	</StructureSection>		</StructureSection>
	[[Category: Synthetic construct sequences]]		[[Category: Synthetic construct sequences]]
	[[Category: Acton, T B.]]		[[Category: Acton, T B]]
	[[Category: Baker, D.]]		[[Category: Baker, D]]
	[[Category: Everett, J K.]]		[[Category: Everett, J K]]
	[[Category: Hunt, J F.]]		[[Category: Hunt, J F]]
	[[Category: Kuzin, A P.]]		[[Category: Kuzin, A P]]
	[[Category: Lew, S.]]		[[Category: Lew, S]]
	[[Category: Montelione, G T.]]		[[Category: Montelione, G T]]
	[[Category: ~~NESG, Northeast~~ Structural ~~Genomics Consortium.~~]]		[[Category: Structural genomic]]
	[[Category: Rajagopalan, S.]]		[[Category: Rajagopalan, S]]
	[[Category: Seetharaman, J.]]		[[Category: Seetharaman, J]]
	[[Category: Tong, L.]]		[[Category: Tong, L]]
	[[Category: Tong, S.]]		[[Category: Tong, S]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Protein structure initiative]]		[[Category: PSI, Protein structure initiative]]
	[[Category: Psi-biology]]		[[Category: Psi-biology]]
	~~[[Category: Structural genomic]]~~

OCA at 05:22, 8 October 2014

2014-10-08T05:22:27Z

← Older revision		Revision as of 05:22, 8 October 2014
Line 1:		Line 1:
	~~{{STRUCTURE_4jca\| PDB=4jca \| SCENE= }}~~		==Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273==
	===Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273===		<StructureSection load='4jca' size='340' side='right' caption='[[4jca]], [[Resolution\|resolution]] 2.41Å' scene=''>
	~~{{ABSTRACT_PUBMED_24705591}}~~		== Structural highlights ==
			<table><tr><td colspan='2'>[[4jca]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Synthetic_construct_sequences Synthetic construct sequences]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4JCA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4JCA FirstGlance]. <br>
			</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=RB:RUBIDIUM+ION'>RB</scene></td></tr>
			<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4etj\|4etj]]</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=4jca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4jca OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4jca RCSB], [http://www.ebi.ac.uk/pdbsum/4jca PDBsum]</span></td></tr>
			</table>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			A challenge in the computational design of enzymes is that multiple properties, including substrate binding, transition state stabilization and product release, must be simultaneously optimized, and this has limited the absolute activity of successful designs. Here, we focus on a single critical property of many enzymes: the nucleophilicity of an active site residue that initiates catalysis. We design proteins with idealized serine-containing catalytic triads and assess their nucleophilicity directly in native biological systems using activity-based organophosphate probes. Crystal structures of the most successful designs show unprecedented agreement with computational models, including extensive hydrogen bonding networks between the catalytic triad (or quartet) residues, and mutagenesis experiments demonstrate that these networks are critical for serine activation and organophosphate reactivity. Following optimization by yeast display, the designs react with organophosphate probes at rates comparable to natural serine hydrolases. Co-crystal structures with diisopropyl fluorophosphate bound to the serine nucleophile suggest that the designs could provide the basis for a new class of organophosphate capture agents.

	~~==About this Structure==~~		Design of activated serine-containing catalytic triads with atomic-level accuracy.,Rajagopalan S, Wang C, Yu K, Kuzin AP, Richter F, Lew S, Miklos AE, Matthews ML, Seetharaman J, Su M, Hunt JF, Cravatt BF, Baker D Nat Chem Biol. 2014 Apr 6. doi: 10.1038/nchembio.1498. PMID:24705591<ref>PMID:24705591</ref>
	~~[[4jca]] is a 1 chain structure~~ with ~~sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Synthetic_construct_sequences Synthetic construct sequences]~~. ~~Full crystallographic information is available from [http~~:/~~/oca~~.~~weizmann~~.~~ac.il~~/~~oca-bin/ocashort?id=4JCA OCA].~~

	==~~Reference~~==		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	~~<ref group="xtra">PMID:024705591</ref>~~<references ~~group="xtra"~~/><~~references~~/>		</div>
			== References ==
			<references/>
			__TOC__
			</StructureSection>
	[[Category: Synthetic construct sequences]]		[[Category: Synthetic construct sequences]]
	[[Category: Acton, T B.]]		[[Category: Acton, T B.]]

OCA at 07:59, 16 April 2014

2014-04-16T07:59:30Z

← Older revision		Revision as of 07:59, 16 April 2014
Line 1:		Line 1:
	{{STRUCTURE_4jca\| PDB=4jca \| SCENE= }}		{{STRUCTURE_4jca\| PDB=4jca \| SCENE= }}
	===Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273===		===Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273===
			{{ABSTRACT_PUBMED_24705591}}

	==About this Structure==		==About this Structure==
	[[4jca]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Synthetic_construct~~ Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4JCA OCA].		[[4jca]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Synthetic_construct_sequences Synthetic construct sequences]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4JCA OCA].
	[[Category: Synthetic construct]]
			==Reference==
			<ref group="xtra">PMID:024705591</ref><references group="xtra"/><references/>
			[[Category: Synthetic construct sequences]]
	[[Category: Acton, T B.]]		[[Category: Acton, T B.]]
	[[Category: Baker, D.]]		[[Category: Baker, D.]]

OCA at 17:03, 20 March 2013

2013-03-20T17:03:40Z

← Older revision		Revision as of 17:03, 20 March 2013
Line 1:		Line 1:
	~~'''Unreleased structure'''~~		{{STRUCTURE_4jca\| PDB=4jca \| SCENE= }}
			===Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273===

	~~The entry~~ 4jca is ~~ON HOLD~~		==About this Structure==
			[[4jca]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4JCA OCA].
	~~Authors~~: ~~Kuzin, A~~.P.~~, Lew, S~~.~~, Rajagopalan, S., Seetharaman, J~~.~~, Tong, S~~.~~, Everett, J~~.K., Acton, T.B., Baker, D., ~~Montelione~~, G.T., ~~Tong, L~~., ~~Hunt, J.F~~., Northeast Structural Genomics Consortium ~~(NESG)~~		[[Category: Synthetic construct]]
			[[Category: Acton, T B.]]
	~~Description~~: ~~Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase~~, ~~OSH55~~.~~4_H1~~, ~~bound with citric acid in the active site~~. ~~Northeast~~ Structural ~~Genomics Consortium (NESG) Target OR273~~		[[Category: Baker, D.]]
			[[Category: Everett, J K.]]
			[[Category: Hunt, J F.]]
			[[Category: Kuzin, A P.]]
			[[Category: Lew, S.]]
			[[Category: Montelione, G T.]]
			[[Category: NESG, Northeast Structural Genomics Consortium.]]
			[[Category: Rajagopalan, S.]]
			[[Category: Seetharaman, J.]]
			[[Category: Tong, L.]]
			[[Category: Tong, S.]]
			[[Category: Hydrolase]]
			[[Category: Protein structure initiative]]
			[[Category: Psi-biology]]
			[[Category: Structural genomic]]

OCA at 13:51, 6 March 2013

2013-03-06T13:51:51Z

← Older revision		Revision as of 13:51, 6 March 2013
Line 3:		Line 3:
	The entry 4jca is ON HOLD		The entry 4jca is ON HOLD

	Authors: Kuzin,A.P., Lew, S., Rajagopalan, S., Seetharaman, J., Tong~~,S., Rajagopalan~~,S., Everett, J.K., Acton, T.B., Baker. D., Montelione, G.T., Tong,L., Hunt,J.F., Northeast Structural Genomics Consortium (NESG)		Authors: Kuzin, A.P., Lew, S., Rajagopalan, S., Seetharaman, J., Tong, S., Everett, J.K., Acton, T.B., Baker, D., Montelione, G.T., Tong, L., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)

	Description: Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1, bound with citric acid in the active site. , Northeast Structural Genomics Consortium (NESG) Target OR273		Description: Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1, bound with citric acid in the active site. Northeast Structural Genomics Consortium (NESG) Target OR273

OCA: Protected "4jca" [edit=sysop:move=sysop]

2013-02-27T14:29:22Z

Protected "4jca" [edit=sysop:move=sysop]

← Older revision	Revision as of 14:29, 27 February 2013
(No difference)