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2vo7

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[[Image:2vo7.png|left|200px]]
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==STRUCTURE OF PKA COMPLEXED WITH 4-(4-CHLOROBENZYL)-1-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)PIPERIDIN-4-YLAMINE==
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<StructureSection load='2vo7' size='340' side='right' caption='[[2vo7]], [[Resolution|resolution]] 1.98&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2vo7]] is a 2 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=2VO7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VO7 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=M05:4-(4-CHLOROBENZYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDIN-4-AMINIUM'>M05</scene><br>
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<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>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1xh6|1xh6]], [[1xh9|1xh9]], [[2vnw|2vnw]], [[1ydr|1ydr]], [[1sve|1sve]], [[2uvz|2uvz]], [[1xh4|1xh4]], [[2uvx|2uvx]], [[1q8u|1q8u]], [[2f7e|2f7e]], [[2vo6|2vo6]], [[1kmu|1kmu]], [[1cmk|1cmk]], [[2uw7|2uw7]], [[2jds|2jds]], [[1q62|1q62]], [[2uw8|2uw8]], [[2gnf|2gnf]], [[2uzu|2uzu]], [[2uw3|2uw3]], [[2c1a|2c1a]], [[1smh|1smh]], [[2uw4|2uw4]], [[1veb|1veb]], [[2c1b|2c1b]], [[2gnl|2gnl]], [[1jlu|1jlu]], [[1xh7|1xh7]], [[2uzv|2uzv]], [[1q24|1q24]], [[2vny|2vny]], [[2uw6|2uw6]], [[1svg|1svg]], [[1kmw|1kmw]], [[1xha|1xha]], [[2gnj|2gnj]], [[2uvy|2uvy]], [[2vo0|2vo0]], [[2gnh|2gnh]], [[2gfc|2gfc]], [[1szm|1szm]], [[1q61|1q61]], [[2gng|2gng]], [[1ydt|1ydt]], [[2uzt|2uzt]], [[1q8w|1q8w]], [[1svh|1svh]], [[2uzw|2uzw]], [[2uw0|2uw0]], [[2jdv|2jdv]], [[2vo3|2vo3]], [[2uw5|2uw5]], [[2gni|2gni]], [[1xh5|1xh5]], [[1yds|1yds]], [[1stc|1stc]], [[2jdt|2jdt]], [[1q8t|1q8t]], [[1xh8|1xh8]]</td></tr>
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<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>
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<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=2vo7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vo7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vo7 RCSB], [http://www.ebi.ac.uk/pdbsum/2vo7 PDBsum]</span></td></tr>
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<table>
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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/vo/2vo7_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/chain_selection.php?pdb_ID=2ata 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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Fragment-based screening identified 7-azaindole as a protein kinase B inhibitor scaffold. Fragment elaboration using iterative crystallography of inhibitor-PKA-PKB chimera complexes efficiently guided improvements in the potency and selectivity of the compounds, resulting in the identification of nanomolar 6-(piperidin-1-yl)purine, 4-(piperidin-1-yl)-7-azaindole, and 4-(piperidin-1-yl)pyrrolo[2,3- d]pyrimidine inhibitors of PKBbeta with antiproliferative activity and showing pathway inhibition in cells. A divergence in the binding mode was seen between 4-aminomethylpiperidine and 4-aminopiperidine containing molecules. Selectivity for PKB vs PKA was observed with 4-aminopiperidine derivatives, and the most PKB-selective inhibitor (30-fold) showed significantly different bound conformations between PKA and PKA-PKB chimera.
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{{STRUCTURE_2vo7| PDB=2vo7 | SCENE= }}
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Identification of 4-(4-Aminopiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidines as Selective Inhibitors of Protein Kinase B through Fragment Elaboration.,Caldwell JJ, Davies TG, Donald A, McHardy T, Rowlands MG, Aherne GW, Hunter LK, Taylor K, Ruddle R, Raynaud FI, Verdonk M, Workman P, Garrett MD, Collins I J Med Chem. 2008 Apr 10;51(7):2147-57. Epub 2008 Mar 18. PMID:18345609<ref>PMID:18345609</ref>
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===STRUCTURE OF PKA COMPLEXED WITH 4-(4-CHLOROBENZYL)-1-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)PIPERIDIN-4-YLAMINE===
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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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{{ABSTRACT_PUBMED_18345609}}
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==About this Structure==
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[[2vo7]] is a 2 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=2VO7 OCA].
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==See Also==
==See Also==
*[[CAMP-dependent protein kinase|CAMP-dependent protein kinase]]
*[[CAMP-dependent protein kinase|CAMP-dependent protein kinase]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:018345609</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Bos taurus]]
[[Category: Bos taurus]]
[[Category: CAMP-dependent protein kinase]]
[[Category: CAMP-dependent protein kinase]]

Revision as of 01:50, 1 October 2014

STRUCTURE OF PKA COMPLEXED WITH 4-(4-CHLOROBENZYL)-1-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)PIPERIDIN-4-YLAMINE

2vo7, resolution 1.98Å

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