3i79 - Revision history

OCA at 10:04, 21 February 2024

2024-02-21T10:04:12Z

←Older revision		Revision as of 10:04, 21 February 2024
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	<StructureSection load='3i79' size='340' side='right'caption='[[3i79]], [[Resolution\|resolution]] 2.04Å' scene=''>		<StructureSection load='3i79' size='340' side='right'caption='[[3i79]], [[Resolution\|resolution]] 2.04Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3i79]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Toxgo Toxgo~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I79 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3I79 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3i79]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Toxoplasma_gondii Toxoplasma gondii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I79 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3I79 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=EDO:1~~,~~2-ETHANEDIOL'>EDO</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]] 2.04Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>~~[[~~Related_structure~~\|~~Related:~~]]~~</b></td><td class="sblockDat"><div style='overflow: auto~~; ~~max-height: 3em;'>[[3i7b\|3i7b]], [[3i7c\|3i7c]], [[3n51\|3n51]], [[3mwu\|3mwu]], [[3ncg\|3ncg]]</div>~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>CDPK1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id~~=5811 TOXGO])</td></tr>~~	+
-	~~<tr id='activity'><td class~~="~~sblockLbl~~"><~~b>Activity:</b></td><td class~~=~~"sblockDat"><span class~~=~~'plainlinks'>[https~~:~~//en.wikipedia.org/wiki/Calcium/calmodulin-dependent_protein_kinase Calcium/calmodulin-dependent protein kinase]~~, ~~with EC number [https://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=2.7.11.17 2.7.11.17]~~ </~~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=3i79 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i79 OCA], [https://pdbe.org/3i79 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3i79 RCSB], [https://www.ebi.ac.uk/pdbsum/3i79 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3i79 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=3i79 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i79 OCA], [https://pdbe.org/3i79 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3i79 RCSB], [https://www.ebi.ac.uk/pdbsum/3i79 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3i79 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q9BJF5_TOXGO Q9BJF5_TOXGO]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</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=3i79 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=3i79 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	New drugs are needed to treat toxoplasmosis. Toxoplasma gondii calcium-dependent protein kinases (TgCDPKs) are attractive targets because they are absent in mammals. We show that TgCDPK1 is inhibited by low nanomolar levels of bumped kinase inhibitors (BKIs), compounds inactive against mammalian kinases. Cocrystal structures of TgCDPK1 with BKIs confirm that the structural basis for selectivity is due to the unique glycine gatekeeper residue in the ATP-binding site. We show that BKIs interfere with an early step in T. gondii infection of human cells in culture. Furthermore, we show that TgCDPK1 is the in vivo target of BKIs because T. gondii expressing a glycine to methionine gatekeeper mutant enzyme show significantly decreased sensitivity to BKIs. Thus, design of selective TgCDPK1 inhibitors with low host toxicity may be achievable.
-
-	Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.,Ojo KK, Larson ET, Keyloun KR, Castaneda LJ, Derocher AE, Inampudi KK, Kim JE, Arakaki TL, Murphy RC, Zhang L, Napuli AJ, Maly DJ, Verlinde CL, Buckner FS, Parsons M, Hol WG, Merritt EA, Van Voorhis WC Nat Struct Mol Biol. 2010 May;17(5):602-7. Epub 2010 May 2. PMID:20436472<ref>PMID:20436472</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 3i79" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Calcium-dependent protein kinase\|Calcium-dependent protein kinase]]		*[[Calcium-dependent protein kinase\|Calcium-dependent protein kinase]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Calcium/calmodulin-dependent protein kinase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Toxgo~~]]	+	[[Category: Toxoplasma gondii]]
-	[[Category: Larson~~, E T]]~~	+	[[Category: Larson ET]]
-	~~[[Category: Structural genomic~~]]	+	[[Category: Merritt EA]]
-	[[Category: Merritt~~, E A]]~~	+
-	~~[[Category: Atp-binding]]~~	+
-	~~[[Category: Bumped kinase inhibitor]]~~	+
-	~~[[Category: Calmodulin]]~~	+
-	~~[[Category: Ef hand]]~~	+
-	~~[[Category: Kinase]]~~	+
-	~~[[Category: Msgpp]]~~	+
-	~~[[Category: Nucleotide-binding]]~~	+
-	~~[[Category: Protein kinase]]~~	+
-	~~[[Category: Serine/threonine-protein kinase]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 10:59, 13 April 2022

2022-04-13T10:59:43Z

←Older revision		Revision as of 10:59, 13 April 2022
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	==Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)==		==Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)==
-	<StructureSection load='3i79' size='340' side='right' caption='[[3i79]], [[Resolution\|resolution]] 2.04Å' scene=''>	+	<StructureSection load='3i79' size='340' side='right'caption='[[3i79]], [[Resolution\|resolution]] 2.04Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3i79]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Toxgo Toxgo]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I79 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3I79 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3i79]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Toxgo Toxgo]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I79 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3I79 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3i7b\|3i7b]], [[3i7c\|3i7c]], [[3n51\|3n51]], [[3mwu\|3mwu]], [[3ncg\|3ncg]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3i7b\|3i7b]], [[3i7c\|3i7c]], [[3n51\|3n51]], [[3mwu\|3mwu]], [[3ncg\|3ncg]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CDPK1 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5811 TOXGO])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CDPK1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5811 TOXGO])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Calcium/calmodulin-dependent_protein_kinase Calcium/calmodulin-dependent protein kinase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.17 2.7.11.17] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Calcium/calmodulin-dependent_protein_kinase Calcium/calmodulin-dependent protein kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.17 2.7.11.17] </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=3i79 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i79 OCA], [~~http~~://pdbe.org/3i79 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3i79 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3i79 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3i79 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=3i79 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i79 OCA], [https://pdbe.org/3i79 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3i79 RCSB], [https://www.ebi.ac.uk/pdbsum/3i79 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3i79 ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 14:		Line 14:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/i7/3i79_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/i7/3i79_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 29:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 3i79" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3i79" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Calcium-dependent protein kinase\|Calcium-dependent protein kinase]]
	== References ==		== References ==
	<references/>		<references/>
Line 34:		Line 37:
	</StructureSection>		</StructureSection>
	[[Category: Calcium/calmodulin-dependent protein kinase]]		[[Category: Calcium/calmodulin-dependent protein kinase]]
		+	[[Category: Large Structures]]
	[[Category: Toxgo]]		[[Category: Toxgo]]
	[[Category: Larson, E T]]		[[Category: Larson, E T]]

OCA at 06:15, 1 November 2017

2017-11-01T06:15:50Z

←Older revision		Revision as of 06:15, 1 November 2017
Line 1:		Line 1:
		+
	==Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)==		==Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)==
	<StructureSection load='3i79' size='340' side='right' caption='[[3i79]], [[Resolution\|resolution]] 2.04Å' scene=''>		<StructureSection load='3i79' size='340' side='right' caption='[[3i79]], [[Resolution\|resolution]] 2.04Å' scene=''>
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	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CDPK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5811 TOXGO])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CDPK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5811 TOXGO])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Calcium/calmodulin-dependent_protein_kinase Calcium/calmodulin-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.17 2.7.11.17] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Calcium/calmodulin-dependent_protein_kinase Calcium/calmodulin-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.17 2.7.11.17] </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=3i79 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i79 OCA], [http://pdbe.org/3i79 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3i79 RCSB], [http://www.ebi.ac.uk/pdbsum/3i79 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=3i79 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i79 OCA], [http://pdbe.org/3i79 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3i79 RCSB], [http://www.ebi.ac.uk/pdbsum/3i79 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3i79 ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==

OCA at 09:05, 8 February 2016

2016-02-08T09:05:32Z

←Older revision		Revision as of 09:05, 8 February 2016
Line 7:		Line 7:
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CDPK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5811 TOXGO])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CDPK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5811 TOXGO])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Calcium/calmodulin-dependent_protein_kinase Calcium/calmodulin-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.17 2.7.11.17] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Calcium/calmodulin-dependent_protein_kinase Calcium/calmodulin-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.17 2.7.11.17] </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=3i79 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i79 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3i79 RCSB], [http://www.ebi.ac.uk/pdbsum/3i79 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=3i79 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i79 OCA], [http://pdbe.org/3i79 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3i79 RCSB], [http://www.ebi.ac.uk/pdbsum/3i79 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=3i79 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 3i79" style="background-color:#fffaf0;"></div>
-	==~~See Also==~~	+
-	*[[Calcium-dependent protein kinase\|Calcium-~~dependent protein kinase]]~~	+
	== References ==		== References ==
	<references/>		<references/>

OCA at 08:59, 25 January 2015

2015-01-25T08:59:38Z

←Older revision		Revision as of 08:59, 25 January 2015
Line 2:		Line 2:
	<StructureSection load='3i79' size='340' side='right' caption='[[3i79]], [[Resolution\|resolution]] 2.04Å' scene=''>		<StructureSection load='3i79' size='340' side='right' caption='[[3i79]], [[Resolution\|resolution]] 2.04Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3i79]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I79 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3I79 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3i79]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Toxgo Toxgo]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I79 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3I79 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3i7b\|3i7b]], [[3i7c\|3i7c]], [[3n51\|3n51]], [[3mwu\|3mwu]], [[3ncg\|3ncg]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3i7b\|3i7b]], [[3i7c\|3i7c]], [[3n51\|3n51]], [[3mwu\|3mwu]], [[3ncg\|3ncg]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CDPK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5811 TOXGO])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Calcium/calmodulin-dependent_protein_kinase Calcium/calmodulin-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.17 2.7.11.17] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Calcium/calmodulin-dependent_protein_kinase Calcium/calmodulin-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.17 2.7.11.17] </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=3i79 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i79 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3i79 RCSB], [http://www.ebi.ac.uk/pdbsum/3i79 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=3i79 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i79 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3i79 RCSB], [http://www.ebi.ac.uk/pdbsum/3i79 PDBsum]</span></td></tr>
Line 34:		Line 35:
	</StructureSection>		</StructureSection>
	[[Category: Calcium/calmodulin-dependent protein kinase]]		[[Category: Calcium/calmodulin-dependent protein kinase]]
		+	[[Category: Toxgo]]
	[[Category: Larson, E T]]		[[Category: Larson, E T]]
	[[Category: Structural genomic]]		[[Category: Structural genomic]]

OCA at 07:24, 12 November 2014

2014-11-12T07:24:46Z

←Older revision		Revision as of 07:24, 12 November 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_3i79\| PDB=3i79 \| SCENE= }}~~	+	==Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)==
-	===Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)===	+	<StructureSection load='3i79' size='340' side='right' caption='[[3i79]], [[Resolution\|resolution]] 2.04Å' scene=''>
-	~~{{ABSTRACT_PUBMED_20436472}}~~	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3i79]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I79 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3I79 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3i7b\|3i7b]], [[3i7c\|3i7c]], [[3n51\|3n51]], [[3mwu\|3mwu]], [[3ncg\|3ncg]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Calcium/calmodulin-dependent_protein_kinase Calcium/calmodulin-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.17 2.7.11.17] </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=3i79 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i79 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3i79 RCSB], [http://www.ebi.ac.uk/pdbsum/3i79 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/i7/3i79_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 ==
		+	New drugs are needed to treat toxoplasmosis. Toxoplasma gondii calcium-dependent protein kinases (TgCDPKs) are attractive targets because they are absent in mammals. We show that TgCDPK1 is inhibited by low nanomolar levels of bumped kinase inhibitors (BKIs), compounds inactive against mammalian kinases. Cocrystal structures of TgCDPK1 with BKIs confirm that the structural basis for selectivity is due to the unique glycine gatekeeper residue in the ATP-binding site. We show that BKIs interfere with an early step in T. gondii infection of human cells in culture. Furthermore, we show that TgCDPK1 is the in vivo target of BKIs because T. gondii expressing a glycine to methionine gatekeeper mutant enzyme show significantly decreased sensitivity to BKIs. Thus, design of selective TgCDPK1 inhibitors with low host toxicity may be achievable.

-	~~==About this Structure==~~	+	Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.,Ojo KK, Larson ET, Keyloun KR, Castaneda LJ, Derocher AE, Inampudi KK, Kim JE, Arakaki TL, Murphy RC, Zhang L, Napuli AJ, Maly DJ, Verlinde CL, Buckner FS, Parsons M, Hol WG, Merritt EA, Van Voorhis WC Nat Struct Mol Biol. 2010 May;17(5):602-7. Epub 2010 May 2. PMID:20436472<ref>PMID:20436472</ref>
-	~~[[3i79]]~~ is a ~~1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Toxoplasma_gondii Toxoplasma gondii]. Full crystallographic information is available from [http~~:~~//oca~~.~~weizmann~~.~~ac.il~~/~~oca-bin/ocashort?id=3I79 OCA].~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~<ref group~~=~~"xtra">PMID:020436472~~</~~ref~~><~~references group="xtra"~~/>	+	</div>
		+
		+	==See Also==
		+	*[[Calcium-dependent protein kinase\|Calcium-dependent protein kinase]]
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Calcium/calmodulin-dependent protein kinase]]		[[Category: Calcium/calmodulin-dependent protein kinase]]
-	~~[[Category: Toxoplasma gondii]]~~	+	[[Category: Larson, E T]]
-	[[Category: Larson, E T.]]	+	[[Category: Structural genomic]]
-	[[Category: ~~MSGPP, Medical~~ Structural ~~Genomics of Pathogenic Protozoa.~~]]	+	[[Category: Merritt, E A]]
-	[[Category: Merritt, E A.]]	+
	[[Category: Atp-binding]]		[[Category: Atp-binding]]
	[[Category: Bumped kinase inhibitor]]		[[Category: Bumped kinase inhibitor]]
Line 18:		Line 42:
	[[Category: Ef hand]]		[[Category: Ef hand]]
	[[Category: Kinase]]		[[Category: Kinase]]
-	[[Category: Medical structural genomics of pathogenic protozoa]]
	[[Category: Msgpp]]		[[Category: Msgpp]]
	[[Category: Nucleotide-binding]]		[[Category: Nucleotide-binding]]
	[[Category: Protein kinase]]		[[Category: Protein kinase]]
	[[Category: Serine/threonine-protein kinase]]		[[Category: Serine/threonine-protein kinase]]
-	[[Category: Structural genomic]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA: Protected "3i79" [edit=sysop:move=sysop]

2013-03-13T10:55:57Z

Protected "3i79" [edit=sysop:move=sysop]

←Older revision

Revision as of 10:55, 13 March 2013

OCA at 10:55, 13 March 2013

2013-03-13T10:55:55Z

←Older revision		Revision as of 10:55, 13 March 2013
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-	{{Seed}}
-	[[Image:3i79.png\|left\|200px]]
-
-	<!--
-	The line below this paragraph, containing "STRUCTURE_3i79", 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_3i79\| PDB=3i79 \| SCENE= }}		{{STRUCTURE_3i79\| PDB=3i79 \| SCENE= }}
-
	===Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)===		===Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)===
-
-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_20436472}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 20436472 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_20436472}}		{{ABSTRACT_PUBMED_20436472}}

	==About this Structure==		==About this Structure==
-	~~3I79~~ is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Toxoplasma_gondii Toxoplasma gondii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I79 OCA].	+	[[3i79]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Toxoplasma_gondii Toxoplasma gondii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I79 OCA].

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~20436472~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:020436472</ref><references group="xtra"/>
	[[Category: Calcium/calmodulin-dependent protein kinase]]		[[Category: Calcium/calmodulin-dependent protein kinase]]
	[[Category: Toxoplasma gondii]]		[[Category: Toxoplasma gondii]]
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	[[Category: Structural genomic]]		[[Category: Structural genomic]]
	[[Category: Transferase]]		[[Category: Transferase]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jul 21 09:53:37 2010''

OCA at 05:47, 21 July 2010

2010-07-21T05:47:12Z

←Older revision		Revision as of 05:47, 21 July 2010
Line 31:		Line 31:
	[[Category: Atp-binding]]		[[Category: Atp-binding]]
	[[Category: Bumped kinase inhibitor]]		[[Category: Bumped kinase inhibitor]]
-	[[Category: Calcium]]
	[[Category: Calmodulin]]		[[Category: Calmodulin]]
	[[Category: Ef hand]]		[[Category: Ef hand]]
Line 43:		Line 42:
	[[Category: Transferase]]		[[Category: Transferase]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~May 12 10~~:34:17 2010''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jul 21 09:53:37 2010''

OCA at 07:34, 12 May 2010

2010-05-12T07:34:18Z

←Older revision		Revision as of 07:34, 12 May 2010
Line 12:		Line 12:
	===Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)===		===Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)===

		+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_20436472}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 20436472 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_20436472}}

	==About this Structure==		==About this Structure==
	3I79 is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Toxoplasma_gondii Toxoplasma gondii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I79 OCA].		3I79 is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Toxoplasma_gondii Toxoplasma gondii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I79 OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:20436472</ref><references group="xtra"/>
	[[Category: Calcium/calmodulin-dependent protein kinase]]		[[Category: Calcium/calmodulin-dependent protein kinase]]
	[[Category: Toxoplasma gondii]]		[[Category: Toxoplasma gondii]]
Line 34:		Line 43:
	[[Category: Transferase]]		[[Category: Transferase]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Apr 28 11~~:18:51 2010''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed May 12 10:34:17 2010''