2uw6: Difference between revisions

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[[Image:2uw6.jpg|left|200px]]
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{{STRUCTURE_2uw6|  PDB=2uw6  |  SCENE=  }}
'''STRUCTURE OF PKA-PKB CHIMERA COMPLEXED WITH (S)-2-(4-CHLORO-PHENYL)-2-(4-1H-PYRAZOL-4-YL)-PHENYL)-ETHYLAMINE'''


==Structure of PKA-PKB chimera complexed with (S)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine==
<StructureSection load='2uw6' size='340' side='right'caption='[[2uw6]], [[Resolution|resolution]] 2.23&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2uw6]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2UW6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2UW6 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GVO:(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE'>GVO</scene></td></tr>
<tr id='NonStdRes'><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 id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1cmk|1cmk]], [[1xh4|1xh4]], [[1xh5|1xh5]], [[1xh6|1xh6]], [[1xh7|1xh7]], [[1xh8|1xh8]], [[1xh9|1xh9]], [[1xha|1xha]], [[1ydr|1ydr]], [[2c1a|2c1a]], [[2c1b|2c1b]], [[2f7e|2f7e]], [[2gni|2gni]], [[2jds|2jds]], [[2jdt|2jdt]], [[2jdv|2jdv]], [[1kmu|1kmu]], [[1kmw|1kmw]], [[1q24|1q24]], [[1q61|1q61]], [[1q62|1q62]], [[1q8t|1q8t]], [[1q8u|1q8u]], [[1q8w|1q8w]], [[1smh|1smh]], [[1stc|1stc]], [[1sve|1sve]], [[1svg|1svg]], [[1svh|1svh]], [[1szm|1szm]], [[1veb|1veb]], [[1yds|1yds]], [[1ydt|1ydt]], [[2gfc|2gfc]], [[2gnf|2gnf]], [[2gng|2gng]], [[2gnh|2gnh]], [[2gnj|2gnj]], [[2gnl|2gnl]], [[2uvx|2uvx]], [[2uvy|2uvy]], [[2uvz|2uvz]], [[2uw0|2uw0]], [[2uw3|2uw3]], [[2uw4|2uw4]], [[2uw5|2uw5]], [[2uw7|2uw7]], [[2uw8|2uw8]], [[2uw9|2uw9]]</div></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=2uw6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2uw6 OCA], [https://pdbe.org/2uw6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2uw6 RCSB], [https://www.ebi.ac.uk/pdbsum/2uw6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2uw6 ProSAT]</span></td></tr>
</table>
== Function ==
[[https://www.uniprot.org/uniprot/IPKA_HUMAN IPKA_HUMAN]] Extremely potent competitive inhibitor of cAMP-dependent protein kinase activity, this protein interacts with the catalytic subunit of the enzyme after the cAMP-induced dissociation of its regulatory chains.
== 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/uw/2uw6_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/main_output.php?pdb_ID=2uw6 ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Using fragment-based screening techniques, 5-methyl-4-phenyl-1H-pyrazole (IC50 80 microM) was identified as a novel, low molecular weight inhibitor of protein kinase B (PKB). Herein we describe the rapid elaboration of highly potent and ligand efficient analogues using a fragment growing approach. Iterative structure-based design was supported by protein-ligand structure determinations using a PKA-PKB "chimera" and a final protein-ligand structure of a lead compound in PKBbeta itself.


==Overview==
Identification of inhibitors of protein kinase B using fragment-based lead discovery.,Saxty G, Woodhead SJ, Berdini V, Davies TG, Verdonk ML, Wyatt PG, Boyle RG, Barford D, Downham R, Garrett MD, Carr RA J Med Chem. 2007 May 17;50(10):2293-6. Epub 2007 Apr 24. PMID:17451234<ref>PMID:17451234</ref>
Using fragment-based screening techniques, 5-methyl-4-phenyl-1H-pyrazole (IC50 80 microM) was identified as a novel, low molecular weight inhibitor of protein kinase B (PKB). Herein we describe the rapid elaboration of highly potent and ligand efficient analogues using a fragment growing approach. Iterative structure-based design was supported by protein-ligand structure determinations using a PKA-PKB "chimera" and a final protein-ligand structure of a lead compound in PKBbeta itself.


==About this Structure==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
2UW6 is a [[Protein complex]] structure of sequences 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=2UW6 OCA].
</div>
<div class="pdbe-citations 2uw6" style="background-color:#fffaf0;"></div>


==Reference==
==See Also==
Identification of inhibitors of protein kinase B using fragment-based lead discovery., Saxty G, Woodhead SJ, Berdini V, Davies TG, Verdonk ML, Wyatt PG, Boyle RG, Barford D, Downham R, Garrett MD, Carr RA, J Med Chem. 2007 May 17;50(10):2293-6. Epub 2007 Apr 24. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17451234 17451234]
*[[CAMP-dependent protein kinase 3D structures|CAMP-dependent protein kinase 3D structures]]
[[Category: Bos taurus]]
== References ==
[[Category: Protein complex]]
<references/>
[[Category: Barford, D.]]
__TOC__
[[Category: Berdini, V.]]
</StructureSection>
[[Category: Boyle, R G.]]
[[Category: Bovin]]
[[Category: Carr, R A.]]
[[Category: Large Structures]]
[[Category: Davies, T G.]]
[[Category: Barford, D]]
[[Category: Downham, R.]]
[[Category: Berdini, V]]
[[Category: Garrett, M D.]]
[[Category: Boyle, R G]]
[[Category: Saxty, G.]]
[[Category: Carr, R A]]
[[Category: Verdonk, M L.]]
[[Category: Davies, T G]]
[[Category: Woodhead, S J.]]
[[Category: Downham, R]]
[[Category: Wyatt, P G.]]
[[Category: Garrett, M D]]
[[Category: Saxty, G]]
[[Category: Verdonk, M L]]
[[Category: Woodhead, S J]]
[[Category: Wyatt, P G]]
[[Category: Atp-binding]]
[[Category: Atp-binding]]
[[Category: Camp]]
[[Category: Camp]]
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[[Category: Serine/threonine-protein kinase]]
[[Category: Serine/threonine-protein kinase]]
[[Category: Transferase]]
[[Category: Transferase]]
[[Category: Transferase/inhibitor complex]]
[[Category: Transferase-inhibitor complex]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Apr 30 13:32:38 2008''
[[Category: Transferase/inhibitor]]
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