2c1b: Difference between revisions

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OCA

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-[[Image:2c1b.gif|left|200px]]<br />
+==STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE==
-<applet load="2c1b" size="450" color="white" frame="true" align="right" spinBox="true"
+<StructureSection load='2c1b' size='340' side='right' caption='[[2c1b]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
-caption="2c1b, resolution 2.00&Aring;" />
+== Structural highlights ==
-'''STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE'''<br />
+<table><tr><td colspan='2'>[[2c1b]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C1B OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2C1B FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CQP:(4R,2S)-5-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE'>CQP</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">[[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]], [[1ydr|1ydr]], [[1yds|1yds]], [[1ydt|1ydt]], [[2c1a|2c1a]], [[1cmk|1cmk]]</td></tr>
+<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Transferase Transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1, 2.7.11.8, 2.7.11.9, 2.7.11.10, 2.7.11.11, 2.7.11.12, 2.7.11.13, 2.7.11.21, 2.7.11.22, 2.7.11.24, 2.7.11.25, 2.7.11.30 and 2.7.12.1 2.7.11.1, 2.7.11.8, 2.7.11.9, 2.7.11.10, 2.7.11.11, 2.7.11.12, 2.7.11.13, 2.7.11.21, 2.7.11.22, 2.7.11.24, 2.7.11.25, 2.7.11.30 and 2.7.12.1] </span></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2c1b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c1b OCA], [http://pdbe.org/2c1b PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2c1b RCSB], [http://www.ebi.ac.uk/pdbsum/2c1b PDBsum]</span></td></tr>
+</table>
+== Function ==
+[[http://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/c1/2c1b_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=2c1b ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Structure-based drug design of novel isoquinoline-5-sulfonamide inhibitors of PKB as potential antitumour agents was investigated. Constrained pyrrolidine analogues that mimicked the bound conformation of linear prototypes were identified and investigated by co-crystal structure determinations with the related protein PKA. Detailed variation in the binding modes between inhibitors with similar overall conformations was observed. Potent PKB inhibitors from this series inhibited GSK3beta phosphorylation in cellular assays, consistent with inhibition of PKB kinase activity in cells.
-==Overview==
+Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.,Collins I, Caldwell J, Fonseca T, Donald A, Bavetsias V, Hunter LJ, Garrett MD, Rowlands MG, Aherne GW, Davies TG, Berdini V, Woodhead SJ, Davis D, Seavers LC, Wyatt PG, Workman P, McDonald E Bioorg Med Chem. 2006 Feb 15;14(4):1255-73. Epub 2005 Oct 24. PMID:16249095<ref>PMID:16249095</ref>
-Structure-based drug design of novel isoquinoline-5-sulfonamide inhibitors, of PKB as potential antitumour agents was investigated. Constrained, pyrrolidine analogues that mimicked the bound conformation of linear, prototypes were identified and investigated by co-crystal structure, determinations with the related protein PKA. Detailed variation in the, binding modes between inhibitors with similar overall conformations was, observed. Potent PKB inhibitors from this series inhibited GSK3beta, phosphorylation in cellular assays, consistent with inhibition of PKB, kinase activity in cells.
-==About this Structure==
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-C1B is a [[http://en.wikipedia.org/wiki/Protein_complex Protein complex]] structure of sequences from [[http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]] and [[http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]] with CQP as [[http://en.wikipedia.org/wiki/ligand ligand]]. Active as [[http://en.wikipedia.org/wiki/ ]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.37 2.7.1.37]]. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2C1B OCA]].
+</div>
+<div class="pdbe-citations 2c1b" style="background-color:#fffaf0;"></div>
-==Reference==
+==See Also==
-Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B., Collins I, Caldwell J, Fonseca T, Donald A, Bavetsias V, Hunter LJ, Garrett MD, Rowlands MG, Aherne GW, Davies TG, Berdini V, Woodhead SJ, Davis D, Seavers LC, Wyatt PG, Workman P, McDonald E, Bioorg Med Chem. 2006 Feb 15;14(4):1255-73. Epub 2005 Oct 24. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16249095 16249095]
+*[[CAMP-dependent protein kinase|CAMP-dependent protein kinase]]
-[[Category: Bos taurus]]
+== References ==
-[[Category: Homo sapiens]]
+<references/>
-[[Category: Protein complex]]
+__TOC__
-[[Category: Aherne, G.W.]]
+</StructureSection>
-[[Category: Bavetsias, V.]]
+[[Category: Bovin]]
-[[Category: Berdini, V.]]
+[[Category: Transferase]]
-[[Category: Caldwell, J.]]
+[[Category: Aherne, G W]]
-[[Category: Collins, I.]]
+[[Category: Bavetsias, V]]
-[[Category: Davies, T.G.]]
+[[Category: Berdini, V]]
-[[Category: Donald, A.]]
+[[Category: Caldwell, J]]
-[[Category: Fonseca, T.]]
+[[Category: Collins, I]]
-[[Category: Garrett, M.D.]]
+[[Category: Davies, T G]]
-[[Category: Hunter, L.J.]]
+[[Category: Donald, A]]
-[[Category: Mcdonald, E.]]
+[[Category: Fonseca, T]]
-[[Category: Rowlands, M.G.]]
+[[Category: Garrett, M D]]
-[[Category: Seavers, L.C.A.]]
+[[Category: Hunter, L J]]
-[[Category: Woodhead, S.]]
+[[Category: Mcdonald, E]]
-[[Category: Workman, P.]]
+[[Category: Rowlands, M G]]
-[[Category: Wyatt, P.G.]]
+[[Category: Seavers, L C.A]]
-[[Category: CQP]]
+[[Category: Woodhead, S J]]
-[[Category: atp-binding]]
+[[Category: Workman, P]]
-[[Category: camp]]
+[[Category: Wyatt, P G]]
-[[Category: complex (transferase/inhibitor)]]
+[[Category: Atp-binding]]
-[[Category: phosphorylation]]
+[[Category: Camp]]
-[[Category: protein kinase inhibitor]]
+[[Category: Phosphorylation]]
-[[Category: serine/threonine-protein kinase]]
+[[Category: Protein kinase inhibitor]]
-[[Category: transferase]]
+[[Category: Serine/threonine-protein kinase]]
+[[Category: Transferase-inhibitor complex]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Oct 29 21:42:33 2007''
+[[Category: Transferase/inhibitor]]