3db6

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{{Seed}}
 
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[[Image:3db6.png|left|200px]]
 
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==Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 902==
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The line below this paragraph, containing "STRUCTURE_3db6", creates the "Structure Box" on the page.
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<StructureSection load='3db6' size='340' side='right'caption='[[3db6]], [[Resolution|resolution]] 2.85&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3db6]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Danio_rerio Danio rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DB6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3DB6 FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.85&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FRS:1-[5-METHYL-2-(TRIFLUOROMETHYL)FURAN-3-YL]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-TRIAZOL-3-YLAMINO)PYRIMIDIN-4-YL]AMINO}ETHYL)-1,3-THIAZOL-2(3H)-YLIDENE]UREA'>FRS</scene></td></tr>
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{{STRUCTURE_3db6| PDB=3db6 | SCENE= }}
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3db6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3db6 OCA], [https://pdbe.org/3db6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3db6 RCSB], [https://www.ebi.ac.uk/pdbsum/3db6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3db6 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q4KMI8_DANRE Q4KMI8_DANRE]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/db/3db6_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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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=3db6 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Polo-like kinase 1 (Plk1) is a member of the Polo-like kinase family of serine/threonine kinases involved in the regulation of cell-cycle progression and cytokinesis and is an attractive target for the development of anticancer therapeutics. The catalytic domain of this enzyme shares significant primary amino-acid homology and structural similarity with another mitotic kinase, Aurora A. While screening an Aurora A library of ATP-competitive compounds, a urea-containing inhibitor with low affinity for mouse Aurora A but with submicromolar potency for human and zebrafish Plk1 (hPlk1 and zPlk1, respectively) was identified. A crystal structure of the zebrafish Plk1 kinase domain-inhibitor complex reveals that the small molecule occupies the purine pocket and extends past the catalytic lysine into the adaptive region of the active site. Analysis of the structures of this protein-inhibitor complex and of similar small molecules cocrystallized with other kinases facilitates understanding of the specificity of the inhibitor for Plk1 and documents for the first time that Plk1 can accommodate extended ATP-competitive compounds that project toward the adaptive pocket and help the enzyme order its activation segment.
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===Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 902===
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Structure of the Brachydanio rerio Polo-like kinase 1 (Plk1) catalytic domain in complex with an extended inhibitor targeting the adaptive pocket of the enzyme.,Elling RA, Fucini RV, Hanan EJ, Barr KJ, Zhu J, Paulvannan K, Yang W, Romanowski MJ Acta Crystallogr Sect F Struct Biol Cryst Commun. 2008 Aug 1;64(Pt, 8):686-91. Epub 2008 Jul 26. PMID:18678933<ref>PMID:18678933</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3db6" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_18678933}}, adds the Publication Abstract to the page
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*[[Serine/threonine protein kinase 3D structures|Serine/threonine protein kinase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 18678933 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_18678933}}
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__TOC__
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</StructureSection>
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==About this Structure==
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3DB6 is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Danio_rerio Danio rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DB6 OCA].
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==Reference==
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<ref group="xtra">PMID:18678933</ref><references group="xtra"/>
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[[Category: Danio rerio]]
[[Category: Danio rerio]]
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[[Category: Polo kinase]]
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[[Category: Large Structures]]
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[[Category: Barr, K J.]]
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[[Category: Barr KJ]]
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[[Category: Elling, R A.]]
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[[Category: Elling RA]]
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[[Category: Fucini, R V.]]
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[[Category: Fucini RV]]
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[[Category: Romanowski, M J.]]
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[[Category: Romanowski MJ]]
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[[Category: Zhu, J.]]
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[[Category: Zhu J]]
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[[Category: Catalytic domain]]
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[[Category: Kinase]]
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[[Category: Plk1]]
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[[Category: Polo-like kinase 1]]
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[[Category: Small-molecule inhibitor]]
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[[Category: Transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Feb 16 21:17:33 2009''
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Current revision

Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 902

PDB ID 3db6

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OCA

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