3f69: Difference between revisions

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-{{Seed}}
-[[Image:3f69.png|left|200px]]
-<!--
+==Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720==
-The line below this paragraph, containing "STRUCTURE_3f69", creates the "Structure Box" on the page.
+<StructureSection load='3f69' size='340' side='right'caption='[[3f69]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<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>
-or leave the SCENE parameter empty for the default display.
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.8&#8491;</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>
-{{STRUCTURE_3f69|  PDB=3f69  |  SCENE=  }}
+<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>
+== 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>
+== 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/initialview03.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/main_output.php?pdb_ID=3f69 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.
-===Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720===
+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&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 3f69" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_19008858}}, adds the Publication Abstract to the page
+*[[Serine/threonine protein kinase 3D structures|Serine/threonine protein kinase 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 19008858 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_19008858}}
+__TOC__
+</StructureSection>
-==About this Structure==
+[[Category: Large Structures]]
-F69 is a 2 chains structure of 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==
-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]
-[[Category: Mycobacterium tuberculosis]]
-[[Category: Non-specific serine/threonine protein kinase]]
-[[Category: Alber, T.]]
-[[Category: Mieczkowski, C A.]]
-[[Category: TBSGC, TB Structural Genomics Consortium.]]
-[[Category: Atp-binding]]
-[[Category: Cocrystallization of pknb kinase domain and inhibitor]]
-[[Category: Kinase]]
-[[Category: Kt5720]]
-[[Category: Magnesium]]
-[[Category: Metal-binding]]
 [[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: Structual genomic]]
-[[Category: Structural genomic]]
-[[Category: Tb structural genomics consortium]]
-[[Category: Tbsgc]]
-[[Category: Transferase]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Dec 10 15:29:20 2008''