3f69 - Revision history

OCA at 06:37, 3 April 2024

OCA — Wed, 03 Apr 2024 06:37:21 GMT

←Older revision		Revision as of 06:37, 3 April 2024
Line 20:		Line 20:
	</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=3f69 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=3f69 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Many Ser/Thr protein kinases are activated by autophosphorylation, but the mechanism of this process has not been defined. We determined the crystal structure of a mutant of the Ser/Thr kinase domain (KD) of the mycobacterial sensor kinase PknB in complex with an ATP competitive inhibitor and discovered features consistent with an activation complex. The complex formed an asymmetric dimer, with the G helix and the ordered activation loop of one KD in contact with the G helix of the other. The activation loop of this putative 'substrate' KD was disordered, with the ends positioned at the entrance to the partner KD active site. Single amino-acid substitutions in the G-helix interface reduced activation-loop phosphorylation, and multiple replacements abolished KD phosphorylation and kinase activation. Phosphorylation of an inactive mutant KD was reduced by G-helix substitutions in both active and inactive KDs, as predicted by the idea that the asymmetric dimer mimics a trans-autophosphorylation complex. These results support a model in which a structurally and functionally asymmetric, 'front-to-front' association mediates autophosphorylation of PknB and homologous kinases.
-
-	Auto-activation mechanism of the Mycobacterium tuberculosis PknB receptor Ser/Thr kinase.,Mieczkowski C, Iavarone AT, Alber T EMBO J. 2008 Dec 3;27(23):3186-97. Epub 2008 Nov 13. PMID:19008858<ref>PMID:19008858</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 3f69" style="background-color:#fffaf0;"></div>

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

OCA at 00:28, 28 December 2023

OCA — Thu, 28 Dec 2023 00:28:56 GMT

←Older revision		Revision as of 00:28, 28 December 2023
Line 3:		Line 3:
	<StructureSection load='3f69' size='340' side='right'caption='[[3f69]], [[Resolution\|resolution]] 2.80Å' scene=''>		<StructureSection load='3f69' size='340' side='right'caption='[[3f69]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3f69]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus~~ tuberculosis~~" (zopf 1883) klein 1884~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3F69 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3F69 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3f69]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3F69 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3F69 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XDR:HEXYL+(5S,6R,8R)-6-HYDROXY-5-METHYL-13-OXO-5,6,7,8-TETRAHYDRO-13H-5,8-EPOXY-4B,8A,14-TRIAZADIBENZO[B,H]CYCLOOCTA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACENE-6-CARBOXYLATE'>XDR</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]] 2.8Å</td></tr>
-	~~<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene>, <scene name='pdbligand=XDR:HEXYL+(5S,6R,8R)-6-HYDROXY-5-METHYL-13-OXO-5,6,7,8-TETRAHYDRO-13H-5,8-EPOXY-4B,8A,14-TRIAZADIBENZO[B,H]CYCLOOCTA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACENE-6-CARBOXYLATE'>XDR</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MT0017, MTCY10H4.14c, pknB, Rv0014c ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</td></tr>	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </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=3f69 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f69 OCA], [https://pdbe.org/3f69 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3f69 RCSB], [https://www.ebi.ac.uk/pdbsum/3f69 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3f69 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=3f69 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f69 OCA], [https://pdbe.org/3f69 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3f69 RCSB], [https://www.ebi.ac.uk/pdbsum/3f69 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3f69 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/PKNB_MYCTU PKNB_MYCTU]] Key component of a signal transduction pathway that regulates cell growth and cell division via phosphorylation of target proteins such as GarA, GlmU, PapA5, PbpA, FhaB (Rv0019c), FhaA (Rv0020c), MviN, PstP, EmbR, Rv1422, Rv1747 and RseA. Shows a strong preference for Thr versus Ser as the phosphoacceptor.<ref>PMID:15985609</ref> <ref>PMID:15978616</ref> <ref>PMID:15987910</ref> <ref>PMID:16817899</ref> <ref>PMID:16980473</ref> <ref>PMID:16436437</ref> <ref>PMID:19826007</ref> <ref>PMID:19121323</ref> <ref>PMID:20025669</ref> <ref>PMID:21423706</ref> <ref>PMID:22275220</ref>	+	[https://www.uniprot.org/uniprot/PKNB_MYCTU PKNB_MYCTU] Key component of a signal transduction pathway that regulates cell growth and cell division via phosphorylation of target proteins such as GarA, GlmU, PapA5, PbpA, FhaB (Rv0019c), FhaA (Rv0020c), MviN, PstP, EmbR, Rv1422, Rv1747 and RseA. Shows a strong preference for Thr versus Ser as the phosphoacceptor.<ref>PMID:15985609</ref> <ref>PMID:15978616</ref> <ref>PMID:15987910</ref> <ref>PMID:16817899</ref> <ref>PMID:16980473</ref> <ref>PMID:16436437</ref> <ref>PMID:19826007</ref> <ref>PMID:19121323</ref> <ref>PMID:20025669</ref> <ref>PMID:21423706</ref> <ref>PMID:22275220</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: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Non-specific serine/threonine protein kinase]]
-	[[Category: Alber, T]]
-	[[Category: Mieczkowski, C A]]
-	[[Category: Structural genomic]]
-	[[Category: Atp-binding]]
-	[[Category: Cocrystallization of pknb kinase domain and inhibitor]]
-	[[Category: Kinase]]
-	[[Category: Kt5720]]
-	[[Category: Magnesium]]
-	[[Category: Metal-binding]]
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
-	[[Category: ~~Nucleotide-binding~~]]	+	[[Category: Alber T]]
-	[[Category: ~~Phosphoprotein]]~~	+	[[Category: Mieczkowski CA]]
-	~~[[Category: Pknb]]~~	+
-	~~[[Category: Protein kinase]]~~	+
-	~~[[Category: Serine/threonine-protein kinase]]~~	+
-	~~[[Category: Tbsgc]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 19:50, 20 October 2021

OCA — Wed, 20 Oct 2021 19:50:04 GMT

←Older revision		Revision as of 19:50, 20 October 2021
Line 1:		Line 1:

	==Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720==		==Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720==
-	<StructureSection load='3f69' size='340' side='right' caption='[[3f69]], [[Resolution\|resolution]] 2.80Å' scene=''>	+	<StructureSection load='3f69' size='340' side='right'caption='[[3f69]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3f69]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3F69 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3F69 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3f69]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3F69 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3F69 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XDR:HEXYL+(5S,6R,8R)-6-HYDROXY-5-METHYL-13-OXO-5,6,7,8-TETRAHYDRO-13H-5,8-EPOXY-4B,8A,14-TRIAZADIBENZO[B,H]CYCLOOCTA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACENE-6-CARBOXYLATE'>XDR</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XDR:HEXYL+(5S,6R,8R)-6-HYDROXY-5-METHYL-13-OXO-5,6,7,8-TETRAHYDRO-13H-5,8-EPOXY-4B,8A,14-TRIAZADIBENZO[B,H]CYCLOOCTA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACENE-6-CARBOXYLATE'>XDR</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><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=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MT0017, MTCY10H4.14c, pknB, Rv0014c ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MT0017, MTCY10H4.14c, pknB, Rv0014c ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </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=3f69 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f69 OCA], [~~http~~://pdbe.org/3f69 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3f69 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3f69 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3f69 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=3f69 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f69 OCA], [https://pdbe.org/3f69 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3f69 RCSB], [https://www.ebi.ac.uk/pdbsum/3f69 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3f69 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/PKNB_MYCTU PKNB_MYCTU]] Key component of a signal transduction pathway that regulates cell growth and cell division via phosphorylation of target proteins such as GarA, GlmU, PapA5, PbpA, FhaB (Rv0019c), FhaA (Rv0020c), MviN, PstP, EmbR, Rv1422, Rv1747 and RseA. Shows a strong preference for Thr versus Ser as the phosphoacceptor.<ref>PMID:15985609</ref> <ref>PMID:15978616</ref> <ref>PMID:15987910</ref> <ref>PMID:16817899</ref> <ref>PMID:16980473</ref> <ref>PMID:16436437</ref> <ref>PMID:19826007</ref> <ref>PMID:19121323</ref> <ref>PMID:20025669</ref> <ref>PMID:21423706</ref> <ref>PMID:22275220</ref>	+	[[https://www.uniprot.org/uniprot/PKNB_MYCTU PKNB_MYCTU]] Key component of a signal transduction pathway that regulates cell growth and cell division via phosphorylation of target proteins such as GarA, GlmU, PapA5, PbpA, FhaB (Rv0019c), FhaA (Rv0020c), MviN, PstP, EmbR, Rv1422, Rv1747 and RseA. Shows a strong preference for Thr versus Ser as the phosphoacceptor.<ref>PMID:15985609</ref> <ref>PMID:15978616</ref> <ref>PMID:15987910</ref> <ref>PMID:16817899</ref> <ref>PMID:16980473</ref> <ref>PMID:16436437</ref> <ref>PMID:19826007</ref> <ref>PMID:19121323</ref> <ref>PMID:20025669</ref> <ref>PMID:21423706</ref> <ref>PMID:22275220</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/f6/3f69_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f6/3f69_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 3f69" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3f69" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Serine/threonine protein kinase 3D structures\|Serine/threonine protein kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]
	[[Category: Alber, T]]		[[Category: Alber, T]]

OCA at 09:26, 25 October 2017

OCA — Wed, 25 Oct 2017 09:26:51 GMT

←Older revision		Revision as of 09:26, 25 October 2017
Line 31:		Line 31:
	</div>		</div>
	<div class="pdbe-citations 3f69" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3f69" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Serine/threonine protein kinase\|Serine/threonine protein kinase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 05:15, 5 August 2016

OCA — Fri, 05 Aug 2016 05:15:51 GMT

←Older revision		Revision as of 05:15, 5 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720==		==Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720==
	<StructureSection load='3f69' size='340' side='right' caption='[[3f69]], [[Resolution\|resolution]] 2.80Å' scene=''>		<StructureSection load='3f69' size='340' side='right' caption='[[3f69]], [[Resolution\|resolution]] 2.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3f69]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Mycobacterium_tuberculosis Mycobacterium~~ tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3F69 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3F69 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3f69]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3F69 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3F69 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XDR:HEXYL+(5S,6R,8R)-6-HYDROXY-5-METHYL-13-OXO-5,6,7,8-TETRAHYDRO-13H-5,8-EPOXY-4B,8A,14-TRIAZADIBENZO[B,H]CYCLOOCTA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACENE-6-CARBOXYLATE'>XDR</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XDR:HEXYL+(5S,6R,8R)-6-HYDROXY-5-METHYL-13-OXO-5,6,7,8-TETRAHYDRO-13H-5,8-EPOXY-4B,8A,14-TRIAZADIBENZO[B,H]CYCLOOCTA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACENE-6-CARBOXYLATE'>XDR</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><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=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MT0017, MTCY10H4.14c, pknB, Rv0014c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 ~~Mycobacterium~~ tuberculosis])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MT0017, MTCY10H4.14c, pknB, Rv0014c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </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=3f69 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f69 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3f69 RCSB], [http://www.ebi.ac.uk/pdbsum/3f69 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=3f69 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f69 OCA], [http://pdbe.org/3f69 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3f69 RCSB], [http://www.ebi.ac.uk/pdbsum/3f69 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3f69 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	<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=3f69 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 29:		Line 30:
	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 3f69" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 36:		Line 38:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Mycobacterium tuberculosis]]
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]
	[[Category: Alber, T]]		[[Category: Alber, T]]
Line 47:		Line 48:
	[[Category: Magnesium]]		[[Category: Magnesium]]
	[[Category: Metal-binding]]		[[Category: Metal-binding]]
		+	[[Category: Mycobacterium tuberculosis]]
	[[Category: Nucleotide-binding]]		[[Category: Nucleotide-binding]]
	[[Category: Phosphoprotein]]		[[Category: Phosphoprotein]]

OCA at 16:03, 25 December 2014

OCA — Thu, 25 Dec 2014 16:03:34 GMT

←Older revision		Revision as of 16:03, 25 December 2014
Line 9:		Line 9:
	<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=3f69 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f69 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3f69 RCSB], [http://www.ebi.ac.uk/pdbsum/3f69 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=3f69 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f69 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3f69 RCSB], [http://www.ebi.ac.uk/pdbsum/3f69 PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PKNB_MYCTU PKNB_MYCTU]] Key component of a signal transduction pathway that regulates cell growth and cell division via phosphorylation of target proteins such as GarA, GlmU, PapA5, PbpA, FhaB (Rv0019c), FhaA (Rv0020c), MviN, PstP, EmbR, Rv1422, Rv1747 and RseA. Shows a strong preference for Thr versus Ser as the phosphoacceptor.<ref>PMID:15985609</ref> <ref>PMID:15978616</ref> <ref>PMID:15987910</ref> <ref>PMID:16817899</ref> <ref>PMID:16980473</ref> <ref>PMID:16436437</ref> <ref>PMID:19826007</ref> <ref>PMID:19121323</ref> <ref>PMID:20025669</ref> <ref>PMID:21423706</ref> <ref>PMID:22275220</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 08:32, 26 November 2014

OCA — Wed, 26 Nov 2014 08:32:54 GMT

←Older revision		Revision as of 08:32, 26 November 2014
Line 1:		Line 1:
-	[[~~Image:~~3f69.~~png~~\|~~left~~\|200px]]	+	==Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720==
		+	<StructureSection load='3f69' size='340' side='right' caption='[[3f69]], [[Resolution\|resolution]] 2.80Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3f69]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3F69 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3F69 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XDR:HEXYL+(5S,6R,8R)-6-HYDROXY-5-METHYL-13-OXO-5,6,7,8-TETRAHYDRO-13H-5,8-EPOXY-4B,8A,14-TRIAZADIBENZO[B,H]CYCLOOCTA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACENE-6-CARBOXYLATE'>XDR</scene></td></tr>
		+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MT0017, MTCY10H4.14c, pknB, Rv0014c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </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=3f69 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f69 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3f69 RCSB], [http://www.ebi.ac.uk/pdbsum/3f69 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/f6/3f69_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 ==
		+	Many Ser/Thr protein kinases are activated by autophosphorylation, but the mechanism of this process has not been defined. We determined the crystal structure of a mutant of the Ser/Thr kinase domain (KD) of the mycobacterial sensor kinase PknB in complex with an ATP competitive inhibitor and discovered features consistent with an activation complex. The complex formed an asymmetric dimer, with the G helix and the ordered activation loop of one KD in contact with the G helix of the other. The activation loop of this putative 'substrate' KD was disordered, with the ends positioned at the entrance to the partner KD active site. Single amino-acid substitutions in the G-helix interface reduced activation-loop phosphorylation, and multiple replacements abolished KD phosphorylation and kinase activation. Phosphorylation of an inactive mutant KD was reduced by G-helix substitutions in both active and inactive KDs, as predicted by the idea that the asymmetric dimer mimics a trans-autophosphorylation complex. These results support a model in which a structurally and functionally asymmetric, 'front-to-front' association mediates autophosphorylation of PknB and homologous kinases.

-	~~{{STRUCTURE_3f69\| PDB=3f69 \| SCENE= }}~~	+	Auto-activation mechanism of the Mycobacterium tuberculosis PknB receptor Ser/Thr kinase.,Mieczkowski C, Iavarone AT, Alber T EMBO J. 2008 Dec 3;27(23):3186-97. Epub 2008 Nov 13. PMID:19008858<ref>PMID:19008858</ref>

-	~~===Crystal structure~~ of the ~~Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

-	~~{{ABSTRACT_PUBMED_19008858}}~~	+	==See Also==
-		+	*[[Serine/threonine protein kinase\|Serine/threonine protein kinase]]
-	==~~About this Structure~~==	+	== References ==
-	[[~~3f69]] is a 2 chain structure with sequence from [http:~~//~~en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis~~]~~. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3F69 OCA~~].	+	<references/>
-		+	__TOC__
-	==~~Reference~~==	+	</StructureSection>
-	<~~ref group="xtra">PMID:019008858<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]
-	[[Category: Alber, T.]]	+	[[Category: Alber, T]]
-	[[Category: Mieczkowski, C A.]]	+	[[Category: Mieczkowski, C A]]
-	[[Category: ~~TBSGC, TB~~ Structural ~~Genomics Consortium.~~]]	+	[[Category: Structural genomic]]
	[[Category: Atp-binding]]		[[Category: Atp-binding]]
	[[Category: Cocrystallization of pknb kinase domain and inhibitor]]		[[Category: Cocrystallization of pknb kinase domain and inhibitor]]
Line 23:		Line 45:
	[[Category: Magnesium]]		[[Category: Magnesium]]
	[[Category: Metal-binding]]		[[Category: Metal-binding]]
-	[[Category: Mycobacterium tuberculosis]]
	[[Category: Nucleotide-binding]]		[[Category: Nucleotide-binding]]
	[[Category: Phosphoprotein]]		[[Category: Phosphoprotein]]
Line 29:		Line 50:
	[[Category: Protein kinase]]		[[Category: Protein kinase]]
	[[Category: Serine/threonine-protein kinase]]		[[Category: Serine/threonine-protein kinase]]
-	[[Category: Structual genomic]]
-	[[Category: Structural genomic]]
-	[[Category: Tb structural genomics consortium]]
	[[Category: Tbsgc]]		[[Category: Tbsgc]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA: Protected "3f69" [edit=sysop:move=sysop]

OCA — Wed, 13 Feb 2013 10:51:05 GMT

Protected "3f69" [edit=sysop:move=sysop]

←Older revision

Revision as of 10:51, 13 February 2013

OCA at 10:51, 13 February 2013

OCA — Wed, 13 Feb 2013 10:51:01 GMT

←Older revision		Revision as of 10:51, 13 February 2013
Line 1:		Line 1:
-	{{Seed}}
	[[Image:3f69.png\|left\|200px]]		[[Image:3f69.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3f69", 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_3f69\| PDB=3f69 \| SCENE= }}		{{STRUCTURE_3f69\| PDB=3f69 \| SCENE= }}

	===Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720===		===Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_19008858}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 19008858 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_19008858}}		{{ABSTRACT_PUBMED_19008858}}

	==About this Structure==		==About this Structure==
-	~~3F69~~ is a 2 ~~chains~~ structure with ~~sequences~~ from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3F69 OCA].	+	[[3f69]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3F69 OCA].

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~19008858~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019008858</ref><references group="xtra"/>
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]
Line 46:		Line 34:
	[[Category: Tbsgc]]		[[Category: Tbsgc]]
	[[Category: Transferase]]		[[Category: Transferase]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Sep 22 11:22:21 2010''

OCA at 08:13, 22 September 2010

OCA — Wed, 22 Sep 2010 08:13:23 GMT

←Older revision		Revision as of 08:13, 22 September 2010
Line 20:		Line 20:

	==About this Structure==		==About this Structure==
-	3F69 is a ~~[[Single protein]]~~ structure ~~of sequence~~ from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3F69 OCA].	+	3F69 is a 2 chains structure with sequences from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3F69 OCA].

	==Reference==		==Reference==
-	~~Auto-activation mechanism of the Mycobacterium tuberculosis PknB receptor Ser/Thr kinase., Mieczkowski C, Iavarone AT, Alber T, EMBO J. 2008 Dec 3;27(23):3186-97. Epub 2008 Nov 13.~~ PMID:~~[http:~~//~~www.ncbi.nlm.nih.gov/pubmed/19008858 19008858]~~	+	<ref group="xtra">PMID:19008858</ref><references group="xtra"/>
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
	[[Category: Non-specific serine/threonine protein kinase]]		[[Category: Non-specific serine/threonine protein kinase]]
-	[[Category: ~~Single protein~~]]	+	[[Category: Alber, T.]]
-	[[Category: ~~Pdbx_ordinal=~~, ~~<PDBx~~:~~audit_author~~.]]	+	[[Category: Mieczkowski, C A.]]
		+	[[Category: TBSGC, TB Structural Genomics Consortium.]]
	[[Category: Atp-binding]]		[[Category: Atp-binding]]
	[[Category: Cocrystallization of pknb kinase domain and inhibitor]]		[[Category: Cocrystallization of pknb kinase domain and inhibitor]]
Line 46:		Line 47:
	[[Category: Transferase]]		[[Category: Transferase]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Jan 14 20~~:06:~~18 2009~~''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Sep 22 11:22:21 2010''