2jbo

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[[Image:2jbo.jpg|left|200px]]
[[Image:2jbo.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2jbo |SIZE=350|CAPTION= <scene name='initialview01'>2jbo</scene>, resolution 3.10&Aring;
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The line below this paragraph, containing "STRUCTURE_2jbo", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:Po4+Binding+Site+For+Chain+A'>AC1</scene> and <scene name='pdbsite=AC2:P4o+Binding+Site+For+Chain+A'>AC2</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=P4O:2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE'>P4O</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_2jbo| PDB=2jbo | SCENE= }}
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|RELATEDENTRY=[[1kwp|1KWP]], [[1nxk|1NXK]], [[1ny3|1NY3]], [[2jbp|2JBP]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2jbo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2jbo OCA], [http://www.ebi.ac.uk/pdbsum/2jbo PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2jbo RCSB]</span>
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}}
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'''PROTEIN KINASE MK2 IN COMPLEX WITH AN INHIBITOR (CRYSTAL FORM-1, SOAKING)'''
'''PROTEIN KINASE MK2 IN COMPLEX WITH AN INHIBITOR (CRYSTAL FORM-1, SOAKING)'''
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[[Category: Muller-Tiemann, B.]]
[[Category: Muller-Tiemann, B.]]
[[Category: Nguyen, D.]]
[[Category: Nguyen, D.]]
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[[Category: alternative splicing]]
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[[Category: Alternative splicing]]
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[[Category: atp site]]
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[[Category: Atp site]]
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[[Category: atp-binding]]
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[[Category: Atp-binding]]
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[[Category: kinase]]
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[[Category: Kinase]]
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[[Category: mapkap kinase 2]]
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[[Category: Mapkap kinase 2]]
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[[Category: mk2]]
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[[Category: Mk2]]
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[[Category: nucleotide-binding]]
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[[Category: Nucleotide-binding]]
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[[Category: phosphorylation]]
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[[Category: Phosphorylation]]
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[[Category: ser-thr kinase]]
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[[Category: Ser-thr kinase]]
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[[Category: serine/threonine-protein kinase]]
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[[Category: Serine/threonine-protein kinase]]
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[[Category: small molecule inhibitor]]
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[[Category: Small molecule inhibitor]]
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[[Category: transferase]]
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[[Category: Transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 08:39:24 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:55:54 2008''
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Revision as of 05:39, 4 May 2008

Image:2jbo.jpg

Template:STRUCTURE 2jbo

PROTEIN KINASE MK2 IN COMPLEX WITH AN INHIBITOR (CRYSTAL FORM-1, SOAKING)


Overview

The Ser/Thr protein kinase MAPKAP kinase 2 (MK2) plays a crucial role in inflammation. We determined the structure of the kinase domain of MK2 in complex with a low molecular mass inhibitor in two different crystal forms, obtained from soaking and co-crystallization. To our knowledge, these are the first structures of MK2 showing the binding mode of an inhibitor with high binding affinity (IC50 8.5 nM). The two crystal forms revealed conformational flexibility in the binding site and extend the experimental basis for rational drug design. Crystal form-1 contained one MK2 molecule per asymmetric unit. Form-2 contained 12 molecules, which arrange into two different types of MK2 trimers. One of them may serve as a model for an intermediate state during substrate phosphorylation, as each MK2 monomer places its activation segment into the substrate peptide binding groove of the trimer neighbor.

About this Structure

2JBO is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structural basis for a high affinity inhibitor bound to protein kinase MK2., Hillig RC, Eberspaecher U, Monteclaro F, Huber M, Nguyen D, Mengel A, Muller-Tiemann B, Egner U, J Mol Biol. 2007 Jun 8;369(3):735-45. Epub 2007 Mar 12. PMID:17449059 Page seeded by OCA on Sun May 4 08:39:24 2008

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