3bwj - Revision history

OCA at 08:27, 19 January 2022

2022-01-19T08:27:21Z

←Older revision		Revision as of 08:27, 19 January 2022
Line 1:		Line 1:

	==Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034==		==Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034==
-	<StructureSection load='3bwj' size='340' side='right' caption='[[3bwj]], [[Resolution\|resolution]] 2.30Å' scene=''>	+	<StructureSection load='3bwj' size='340' side='right'caption='[[3bwj]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3bwj]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BWJ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3BWJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3bwj]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BWJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BWJ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ARX:(2S,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-N-(6-{[(1R)-4-CARBAMIMIDAMIDO-1-{[(1R)-4-CARBAMIMIDAMIDO-1-CARBAMOYLBUTYL]CARBAMOYL}BUTYL]AMINO}-6-OXOHEXYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE'>ARX</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ARX:(2S,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-N-(6-{[(1R)-4-CARBAMIMIDAMIDO-1-{[(1R)-4-CARBAMIMIDAMIDO-1-CARBAMOYLBUTYL]CARBAMOYL}BUTYL]AMINO}-6-OXOHEXYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE'>ARX</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PRKACA ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9913 BOVIN])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PRKACA ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9913 BOVIN])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/cAMP-dependent_protein_kinase cAMP-dependent protein kinase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.11 2.7.11.11] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/cAMP-dependent_protein_kinase cAMP-dependent protein kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.11 2.7.11.11] </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=3bwj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bwj OCA], [~~http~~://pdbe.org/3bwj PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3bwj RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3bwj PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3bwj 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=3bwj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bwj OCA], [https://pdbe.org/3bwj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3bwj RCSB], [https://www.ebi.ac.uk/pdbsum/3bwj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3bwj ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/KAPCA_BOVIN KAPCA_BOVIN]] Phosphorylates a large number of substrates in the cytoplasm and the nucleus. Regulates the abundance of compartmentalized pools of its regulatory subunits through phosphorylation of PJA2 which binds and ubiquitinates these subunits, leading to their subsequent proteolysis. Phosphorylates CDC25B, ABL1, NFKB1, CLDN3, PSMC5/RPT6, PJA2, RYR2, RORA, TRPC1 and VASP. RORA is activated by phosphorylation. Required for glucose-mediated adipogenic differentiation increase and osteogenic differentiation inhibition from osteoblasts. Involved in the regulation of platelets in response to thrombin and collagen; maintains circulating platelets in a resting state by phosphorylating proteins in numerous platelet inhibitory pathways when in complex with NF-kappa-B (NFKB1 and NFKB2) and I-kappa-B-alpha (NFKBIA), but thrombin and collagen disrupt these complexes and free active PRKACA stimulates platelets and leads to platelet aggregation by phosphorylating VASP. Prevents the antiproliferative and anti-invasive effects of alpha-difluoromethylornithine in breast cancer cells when activated. RYR2 channel activity is potentiated by phosphorylation in presence of luminal Ca(2+), leading to reduced amplitude and increased frequency of store overload-induced Ca(2+) release (SOICR) characterized by an increased rate of Ca(2+) release and propagation velocity of spontaneous Ca(2+) waves, despite reduced wave amplitude and resting cytosolic Ca(2+). TRPC1 activation by phosphorylation promotes Ca(2+) influx, essential for the increase in permeability induced by thrombin in confluent endothelial monolayers. PSMC5/RPT6 activation by phosphorylation stimulates proteasome. Regulates negatively tight junction (TJs) in ovarian cancer cells via CLDN3 phosphorylation. NFKB1 phosphorylation promotes NF-kappa-B p50-p50 DNA binding. Involved in embryonic development by down-regulating the Hedgehog (Hh) signaling pathway that determines embryo pattern formation and morphogenesis. Isoform 2 phosphorylates and activates ABL1 in sperm flagellum to promote spermatozoa capacitation. Prevents meiosis resumption in prophase-arrested oocytes via CDC25B inactivation by phosphorylation. May also regulate rapid eye movement (REM) sleep in the pedunculopontine tegmental (PPT) (By similarity).	+	[[https://www.uniprot.org/uniprot/KAPCA_BOVIN KAPCA_BOVIN]] Phosphorylates a large number of substrates in the cytoplasm and the nucleus. Regulates the abundance of compartmentalized pools of its regulatory subunits through phosphorylation of PJA2 which binds and ubiquitinates these subunits, leading to their subsequent proteolysis. Phosphorylates CDC25B, ABL1, NFKB1, CLDN3, PSMC5/RPT6, PJA2, RYR2, RORA, TRPC1 and VASP. RORA is activated by phosphorylation. Required for glucose-mediated adipogenic differentiation increase and osteogenic differentiation inhibition from osteoblasts. Involved in the regulation of platelets in response to thrombin and collagen; maintains circulating platelets in a resting state by phosphorylating proteins in numerous platelet inhibitory pathways when in complex with NF-kappa-B (NFKB1 and NFKB2) and I-kappa-B-alpha (NFKBIA), but thrombin and collagen disrupt these complexes and free active PRKACA stimulates platelets and leads to platelet aggregation by phosphorylating VASP. Prevents the antiproliferative and anti-invasive effects of alpha-difluoromethylornithine in breast cancer cells when activated. RYR2 channel activity is potentiated by phosphorylation in presence of luminal Ca(2+), leading to reduced amplitude and increased frequency of store overload-induced Ca(2+) release (SOICR) characterized by an increased rate of Ca(2+) release and propagation velocity of spontaneous Ca(2+) waves, despite reduced wave amplitude and resting cytosolic Ca(2+). TRPC1 activation by phosphorylation promotes Ca(2+) influx, essential for the increase in permeability induced by thrombin in confluent endothelial monolayers. PSMC5/RPT6 activation by phosphorylation stimulates proteasome. Regulates negatively tight junction (TJs) in ovarian cancer cells via CLDN3 phosphorylation. NFKB1 phosphorylation promotes NF-kappa-B p50-p50 DNA binding. Involved in embryonic development by down-regulating the Hedgehog (Hh) signaling pathway that determines embryo pattern formation and morphogenesis. Isoform 2 phosphorylates and activates ABL1 in sperm flagellum to promote spermatozoa capacitation. Prevents meiosis resumption in prophase-arrested oocytes via CDC25B inactivation by phosphorylation. May also regulate rapid eye movement (REM) sleep in the pedunculopontine tegmental (PPT) (By similarity).
	== 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/bw/3bwj_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bw/3bwj_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 31:		Line 31:
	</div>		</div>
	<div class="pdbe-citations 3bwj" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3bwj" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[CAMP-dependent protein kinase 3D structures\|CAMP-dependent protein kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 36:		Line 39:
	</StructureSection>		</StructureSection>
	[[Category: Bovin]]		[[Category: Bovin]]
		+	[[Category: Large Structures]]
	[[Category: CAMP-dependent protein kinase]]		[[Category: CAMP-dependent protein kinase]]
	[[Category: Bossemeyer, D]]		[[Category: Bossemeyer, D]]

OCA at 08:12, 25 October 2017

2017-10-25T08:12:51Z

←Older revision		Revision as of 08:12, 25 October 2017
Line 1:		Line 1:
		+
	==Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034==		==Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034==
	<StructureSection load='3bwj' size='340' side='right' caption='[[3bwj]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='3bwj' size='340' side='right' caption='[[3bwj]], [[Resolution\|resolution]] 2.30Å' scene=''>
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	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PRKACA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9913 BOVIN])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PRKACA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9913 BOVIN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/cAMP-dependent_protein_kinase cAMP-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.11 2.7.11.11] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/cAMP-dependent_protein_kinase cAMP-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.11 2.7.11.11] </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=3bwj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bwj OCA], [http://pdbe.org/3bwj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3bwj RCSB], [http://www.ebi.ac.uk/pdbsum/3bwj 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=3bwj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bwj OCA], [http://pdbe.org/3bwj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3bwj RCSB], [http://www.ebi.ac.uk/pdbsum/3bwj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3bwj ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 30:		Line 31:
	</div>		</div>
	<div class="pdbe-citations 3bwj" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3bwj" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[CAMP-dependent protein kinase\|CAMP-dependent protein kinase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 23:42, 7 February 2016

2016-02-07T23:42:31Z

←Older revision		Revision as of 23:42, 7 February 2016
Line 2:		Line 2:
	<StructureSection load='3bwj' size='340' side='right' caption='[[3bwj]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='3bwj' size='340' side='right' caption='[[3bwj]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3bwj]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Bos_taurus Bos taurus~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BWJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3BWJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3bwj]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BWJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3BWJ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ARX:(2S,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-N-(6-{[(1R)-4-CARBAMIMIDAMIDO-1-{[(1R)-4-CARBAMIMIDAMIDO-1-CARBAMOYLBUTYL]CARBAMOYL}BUTYL]AMINO}-6-OXOHEXYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE'>ARX</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ARX:(2S,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-N-(6-{[(1R)-4-CARBAMIMIDAMIDO-1-{[(1R)-4-CARBAMIMIDAMIDO-1-CARBAMOYLBUTYL]CARBAMOYL}BUTYL]AMINO}-6-OXOHEXYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE'>ARX</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PRKACA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9913 ~~Bos taurus~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PRKACA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9913 BOVIN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/cAMP-dependent_protein_kinase cAMP-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.11 2.7.11.11] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/cAMP-dependent_protein_kinase cAMP-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.11 2.7.11.11] </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=3bwj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bwj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3bwj RCSB], [http://www.ebi.ac.uk/pdbsum/3bwj 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=3bwj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bwj OCA], [http://pdbe.org/3bwj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3bwj RCSB], [http://www.ebi.ac.uk/pdbsum/3bwj PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		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=3bwj ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 29:		Line 29:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 3bwj" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 36:		Line 37:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Bos taurus~~]]	+	[[Category: Bovin]]
	[[Category: CAMP-dependent protein kinase]]		[[Category: CAMP-dependent protein kinase]]
	[[Category: Bossemeyer, D]]		[[Category: Bossemeyer, D]]

OCA at 19:01, 24 December 2014

2014-12-24T19:01:55Z

←Older revision		Revision as of 19:01, 24 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3bwj]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BWJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3BWJ FirstGlance]. <br>		<table><tr><td colspan='2'>[[3bwj]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BWJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3BWJ FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ARX:(2S,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-N-(6-{[(1R)-4-CARBAMIMIDAMIDO-1-{[(1R)-4-CARBAMIMIDAMIDO-1-CARBAMOYLBUTYL]CARBAMOYL}BUTYL]AMINO}-6-OXOHEXYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE'>ARX</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ARX:(2S,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-N-(6-{[(1R)-4-CARBAMIMIDAMIDO-1-{[(1R)-4-CARBAMIMIDAMIDO-1-CARBAMOYLBUTYL]CARBAMOYL}BUTYL]AMINO}-6-OXOHEXYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE'>ARX</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>	+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PRKACA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9913 Bos taurus])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PRKACA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9913 Bos taurus])</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/cAMP-dependent_protein_kinase cAMP-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.11 2.7.11.11] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/cAMP-dependent_protein_kinase cAMP-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.11 2.7.11.11] </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=3bwj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bwj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3bwj RCSB], [http://www.ebi.ac.uk/pdbsum/3bwj 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=3bwj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bwj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3bwj RCSB], [http://www.ebi.ac.uk/pdbsum/3bwj PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/KAPCA_BOVIN KAPCA_BOVIN]] Phosphorylates a large number of substrates in the cytoplasm and the nucleus. Regulates the abundance of compartmentalized pools of its regulatory subunits through phosphorylation of PJA2 which binds and ubiquitinates these subunits, leading to their subsequent proteolysis. Phosphorylates CDC25B, ABL1, NFKB1, CLDN3, PSMC5/RPT6, PJA2, RYR2, RORA, TRPC1 and VASP. RORA is activated by phosphorylation. Required for glucose-mediated adipogenic differentiation increase and osteogenic differentiation inhibition from osteoblasts. Involved in the regulation of platelets in response to thrombin and collagen; maintains circulating platelets in a resting state by phosphorylating proteins in numerous platelet inhibitory pathways when in complex with NF-kappa-B (NFKB1 and NFKB2) and I-kappa-B-alpha (NFKBIA), but thrombin and collagen disrupt these complexes and free active PRKACA stimulates platelets and leads to platelet aggregation by phosphorylating VASP. Prevents the antiproliferative and anti-invasive effects of alpha-difluoromethylornithine in breast cancer cells when activated. RYR2 channel activity is potentiated by phosphorylation in presence of luminal Ca(2+), leading to reduced amplitude and increased frequency of store overload-induced Ca(2+) release (SOICR) characterized by an increased rate of Ca(2+) release and propagation velocity of spontaneous Ca(2+) waves, despite reduced wave amplitude and resting cytosolic Ca(2+). TRPC1 activation by phosphorylation promotes Ca(2+) influx, essential for the increase in permeability induced by thrombin in confluent endothelial monolayers. PSMC5/RPT6 activation by phosphorylation stimulates proteasome. Regulates negatively tight junction (TJs) in ovarian cancer cells via CLDN3 phosphorylation. NFKB1 phosphorylation promotes NF-kappa-B p50-p50 DNA binding. Involved in embryonic development by down-regulating the Hedgehog (Hh) signaling pathway that determines embryo pattern formation and morphogenesis. Isoform 2 phosphorylates and activates ABL1 in sperm flagellum to promote spermatozoa capacitation. Prevents meiosis resumption in prophase-arrested oocytes via CDC25B inactivation by phosphorylation. May also regulate rapid eye movement (REM) sleep in the pedunculopontine tegmental (PPT) (By similarity).
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 36:		Line 38:
	[[Category: Bos taurus]]		[[Category: Bos taurus]]
	[[Category: CAMP-dependent protein kinase]]		[[Category: CAMP-dependent protein kinase]]
-	[[Category: Bossemeyer, D.]]	+	[[Category: Bossemeyer, D]]
-	[[Category: Koenig, N.]]	+	[[Category: Koenig, N]]
-	[[Category: Lavogina, D.]]	+	[[Category: Lavogina, D]]
-	[[Category: Uri, A.]]	+	[[Category: Uri, A]]
	[[Category: Atp-binding]]		[[Category: Atp-binding]]
	[[Category: Bisubstrate inhibitor]]		[[Category: Bisubstrate inhibitor]]

OCA at 21:32, 2 October 2014

2014-10-02T21:32:31Z

←Older revision		Revision as of 21:32, 2 October 2014
Line 1:		Line 1:
-	[[~~Image:~~3bwj.~~png~~\|~~left~~\|200px]]	+	==Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034==
		+	<StructureSection load='3bwj' size='340' side='right' caption='[[3bwj]], [[Resolution\|resolution]] 2.30Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3bwj]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BWJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3BWJ FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ARX:(2S,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-N-(6-{[(1R)-4-CARBAMIMIDAMIDO-1-{[(1R)-4-CARBAMIMIDAMIDO-1-CARBAMOYLBUTYL]CARBAMOYL}BUTYL]AMINO}-6-OXOHEXYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE'>ARX</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PRKACA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9913 Bos taurus])</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/cAMP-dependent_protein_kinase cAMP-dependent protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.11 2.7.11.11] </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=3bwj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bwj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3bwj RCSB], [http://www.ebi.ac.uk/pdbsum/3bwj 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/bw/3bwj_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 ==
		+	The crystal structure of a complex of the catalytic subunit (type alpha) of cAMP-dependent protein kinase (PKA C alpha) with ARC-type inhibitor (ARC-1034), the presumed lead scaffold of previously reported adenosine-oligo-arginine conjugate-based (ARC-type) inhibitors, was solved. Structural elements important for interaction with the kinase were established with specifically modified derivatives of the lead compound. On the basis of this knowledge, a new generation of inhibitors, conjugates of adenosine-4'-dehydroxymethyl-4'-carboxylic acid moiety and oligo(D-arginine), was developed with inhibitory constants well into the subnanomolar range. The structural determinants of selectivity of the new compounds were established in assays with ROCK-II and PKBgamma.

-	~~{{STRUCTURE_3bwj\| PDB=3bwj \| SCENE= }}~~	+	Structural analysis of ARC-type inhibitor (ARC-1034) binding to protein kinase A catalytic subunit and rational design of bisubstrate analogue inhibitors of basophilic protein kinases.,Lavogina D, Lust M, Viil I, Konig N, Raidaru G, Rogozina J, Enkvist E, Uri A, Bossemeyer D J Med Chem. 2009 Jan 22;52(2):308-21. PMID:19143565<ref>PMID:19143565</ref>

-	~~===Complex~~ of ~~PKA with~~ the ~~bisubstrate protein kinase inhibitor lead compound Arc-1034===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_19143565}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3bwj]] is a 1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Bos_taurus Bos taurus]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=3BWJ OCA].~~	+

	==See Also==		==See Also==
	*[[CAMP-dependent protein kinase\|CAMP-dependent protein kinase]]		*[[CAMP-dependent protein kinase\|CAMP-dependent protein kinase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:019143565<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Bos taurus]]		[[Category: Bos taurus]]
	[[Category: CAMP-dependent protein kinase]]		[[Category: CAMP-dependent protein kinase]]

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

2013-01-07T19:45:19Z

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

←Older revision

Revision as of 19:45, 7 January 2013

OCA at 19:45, 7 January 2013

2013-01-07T19:45:15Z

←Older revision		Revision as of 19:45, 7 January 2013
Line 1:		Line 1:
-	~~{{Seed}}~~	+	[[Image:3bwj.png\|left\|200px]]
-	[[Image:3bwj.~~jpg~~\|left\|200px]]	+

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3bwj", 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_3bwj\| PDB=3bwj \| SCENE= }}		{{STRUCTURE_3bwj\| PDB=3bwj \| SCENE= }}

	===Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034===		===Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_19143565}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 19143565 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_19143565}}		{{ABSTRACT_PUBMED_19143565}}

	==About this Structure==		==About this Structure==
-	~~3BWJ~~ is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BWJ OCA].	+	[[3bwj]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BWJ OCA].
		+
		+	==See Also==
		+	*[[CAMP-dependent protein kinase\|CAMP-dependent protein kinase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~19143565~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019143565</ref><references group="xtra"/>
	[[Category: Bos taurus]]		[[Category: Bos taurus]]
	[[Category: CAMP-dependent protein kinase]]		[[Category: CAMP-dependent protein kinase]]
Line 33:		Line 24:
	[[Category: Bisubstrate inhibitor]]		[[Category: Bisubstrate inhibitor]]
	[[Category: Camp]]		[[Category: Camp]]
-	[[Category: Cytoplasm]]
-	[[Category: Lipoprotein]]
-	[[Category: Myristate]]
-	[[Category: Nucleotide-binding]]
-	[[Category: Nucleus]]
	[[Category: Phosphoprotein]]		[[Category: Phosphoprotein]]
	[[Category: Protein kinase]]		[[Category: Protein kinase]]
-	[[Category: R2k316a_377_refmac16new_mol]]
-	[[Category: Rational design]]
	[[Category: Serine/threonine-protein kinase]]		[[Category: Serine/threonine-protein kinase]]
-	[[Category: Transferase]]	+	[[Category: Transferase-transferase inhibitor complex]]
-		+
-	~~''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 4 11:26:42 2009''~~	+

OCA at 09:26, 4 February 2009

2009-02-04T09:26:45Z

←Older revision		Revision as of 09:26, 4 February 2009
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{Seed}}
		+	[[Image:3bwj.jpg\|left\|200px]]

-	The ~~entry 3bwj~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3bwj", 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_3bwj\| PDB=3bwj \| SCENE= }}

-	~~Authors: Lavogina, D., Koenig, N., Uri, A., Bossemeyer, D.~~	+	===Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034===

-	Description: Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034

		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_19143565}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 19143565 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_19143565}}

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Jun~~ 11 09:28:~~32 2008~~''	+	==About this Structure==
		+	3BWJ is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BWJ OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:19143565</ref><references group="xtra"/>
		+	[[Category: Bos taurus]]
		+	[[Category: CAMP-dependent protein kinase]]
		+	[[Category: Bossemeyer, D.]]
		+	[[Category: Koenig, N.]]
		+	[[Category: Lavogina, D.]]
		+	[[Category: Uri, A.]]
		+	[[Category: Atp-binding]]
		+	[[Category: Bisubstrate inhibitor]]
		+	[[Category: Camp]]
		+	[[Category: Cytoplasm]]
		+	[[Category: Lipoprotein]]
		+	[[Category: Myristate]]
		+	[[Category: Nucleotide-binding]]
		+	[[Category: Nucleus]]
		+	[[Category: Phosphoprotein]]
		+	[[Category: Protein kinase]]
		+	[[Category: R2k316a_377_refmac16new_mol]]
		+	[[Category: Rational design]]
		+	[[Category: Serine/threonine-protein kinase]]
		+	[[Category: Transferase]]
		+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 4 11:26:42 2009''

OCA: New page: '''Unreleased structure''' The entry 3bwj is ON HOLD until Paper Publication Authors: Lavogina, D., Koenig, N., Uri, A., Bossemeyer, D. Description: Complex of PKA with the bisubstrate...

2008-06-11T06:28:32Z

New page: '''Unreleased structure''' The entry 3bwj is ON HOLD until Paper Publication Authors: Lavogina, D., Koenig, N., Uri, A., Bossemeyer, D. Description: Complex of PKA with the bisubstrate...

New page

'''Unreleased structure'''

The entry 3bwj is ON HOLD until Paper Publication

Authors: Lavogina, D., Koenig, N., Uri, A., Bossemeyer, D.

Description: Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jun 11 09:28:32 2008''