3amb: Difference between revisions

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-[[Image:3amb.png|left|200px]]
+==Protein kinase A sixfold mutant model of Aurora B with inhibitor VX-680==
+<StructureSection load='3amb' size='340' side='right' caption='[[3amb]], [[Resolution|resolution]] 2.25&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[3amb]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3AMB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3AMB FirstGlance]. <br>
+</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=VX6:CYCLOPROPANECARBOXYLIC+ACID+{4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE'>VX6</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>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3ama|3ama]]</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=9606 Homo sapiens])</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=3amb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3amb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3amb RCSB], [http://www.ebi.ac.uk/pdbsum/3amb PDBsum]</span></td></tr>
+<table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+We describe here mutations of the catalytic subunit alpha of protein kinase A (PKA) that introduce amino acid side chains into the ATP binding site and progressively transform the pocket to mimic that of Aurora protein kinases. The resultant PKA variants are enzymatically active and exhibit high affinity for ATP site inhibitors that are specific for Aurora kinases. These features make the Aurora-chimeric PKA a valuable tool for structure based drug discovery tasks. Analysis of crystal structures of the chimera reveal the roles of individual amino acid residues in the binding of a variety of inhibitors, offering key insights into selectivity mechanisms. Furthermore the high affinity for Aurora kinase specific inhibitors, combined with the favorable crystallizability properties of PKA allow rapid determination of inhibitor complex structures at atomic resolution. We demonstrate the utility of the Aurora-chimeric PKA by measuring binding kinetics for three Aurora kinase specific inhibitors, and present the X ray structures of the chimeric enzyme in complex with VX 680 (MK 0457) and JNJ 7706621 (Aurora kinase/Cdk inhibitor).
-<!--
+Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase.,Pflug A, de Oliveira TM, Bossemeyer D, Engh RA Biochem J. 2011 Jul 21. PMID:21774789<ref>PMID:21774789</ref>
-The line below this paragraph, containing "STRUCTURE_3amb", 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_3amb|  PDB=3amb  |  SCENE=  }}
-===Protein kinase A sixfold mutant model of Aurora B with inhibitor VX-680===
+From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
+</div>
+== References ==
-<!--
+<references/>
-The line below this paragraph, {{ABSTRACT_PUBMED_21774789}}, adds the Publication Abstract to the page
+__TOC__
-(as it appears on PubMed at http://www.pubmed.gov), where 21774789 is the PubMed ID number.
+</StructureSection>
--->
-{{ABSTRACT_PUBMED_21774789}}
-==About this Structure==
-[[3amb]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3AMB OCA].
-==See Also==
-*[[CAMP-dependent protein kinase]]
-==Reference==
-<ref group="xtra">PMID:021774789</ref><references group="xtra"/>
 [[Category: Homo sapiens]]
 [[Category: CAMP-dependent protein kinase]]