2jbp

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[[Image:2jbp.jpg|left|200px]]<br /><applet load="2jbp" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2jbp.jpg|left|200px]]
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caption="2jbp, resolution 3.31&Aring;" />
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'''PROTEIN KINASE MK2 IN COMPLEX WITH AN INHIBITOR (CRYSTAL FORM-2, CO-CRYSTALLIZATION)'''<br />
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{{Structure
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|PDB= 2jbp |SIZE=350|CAPTION= <scene name='initialview01'>2jbp</scene>, resolution 3.31&Aring;
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|SITE= <scene name='pdbsite=AC1:P4o+Binding+Site+For+Chain+A'>AC1</scene>, <scene name='pdbsite=AC2:P4o+Binding+Site+For+Chain+B'>AC2</scene>, <scene name='pdbsite=AC3:P4o+Binding+Site+For+Chain+C'>AC3</scene>, <scene name='pdbsite=AC4:P4o+Binding+Site+For+Chain+D'>AC4</scene>, <scene name='pdbsite=AC5:P4o+Binding+Site+For+Chain+E'>AC5</scene>, <scene name='pdbsite=AC6:P4o+Binding+Site+For+Chain+F'>AC6</scene>, <scene name='pdbsite=AC7:P4o+Binding+Site+For+Chain+G'>AC7</scene>, <scene name='pdbsite=AC8:P4o+Binding+Site+For+Chain+H'>AC8</scene>, <scene name='pdbsite=AC9:P4o+Binding+Site+For+Chain+I'>AC9</scene>, <scene name='pdbsite=BC1:P4o+Binding+Site+For+Chain+K'>BC1</scene> and <scene name='pdbsite=BC2:P4o+Binding+Site+For+Chain+L'>BC2</scene>
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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>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Transferase Transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1]
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|GENE=
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}}
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'''PROTEIN KINASE MK2 IN COMPLEX WITH AN INHIBITOR (CRYSTAL FORM-2, CO-CRYSTALLIZATION)'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2JBP is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=P4O:'>P4O</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Transferase Transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] Known structural/functional Sites: <scene name='pdbsite=AC1:P4o+Binding+Site+For+Chain+A'>AC1</scene>, <scene name='pdbsite=AC2:P4o+Binding+Site+For+Chain+B'>AC2</scene>, <scene name='pdbsite=AC3:P4o+Binding+Site+For+Chain+C'>AC3</scene>, <scene name='pdbsite=AC4:P4o+Binding+Site+For+Chain+D'>AC4</scene>, <scene name='pdbsite=AC5:P4o+Binding+Site+For+Chain+E'>AC5</scene>, <scene name='pdbsite=AC6:P4o+Binding+Site+For+Chain+F'>AC6</scene>, <scene name='pdbsite=AC7:P4o+Binding+Site+For+Chain+G'>AC7</scene>, <scene name='pdbsite=AC8:P4o+Binding+Site+For+Chain+H'>AC8</scene>, <scene name='pdbsite=AC9:P4o+Binding+Site+For+Chain+I'>AC9</scene>, <scene name='pdbsite=BC1:P4o+Binding+Site+For+Chain+K'>BC1</scene> and <scene name='pdbsite=BC2:P4o+Binding+Site+For+Chain+L'>BC2</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JBP OCA].
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2JBP is a [[Single protein]] structure of 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=2JBP OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17449059 17449059]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/17449059 17449059]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: transferase]]
[[Category: transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:01:30 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:39:51 2008''

Revision as of 15:39, 20 March 2008

Image:2jbp.jpg


PDB ID 2jbp

Drag the structure with the mouse to rotate
, resolution 3.31Å
Sites: , , , , , , , , , and
Ligands:
Activity: Transferase, with EC number 2.7.11.1
Coordinates: save as pdb, mmCIF, xml



PROTEIN KINASE MK2 IN COMPLEX WITH AN INHIBITOR (CRYSTAL FORM-2, CO-CRYSTALLIZATION)


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

2JBP 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

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