2qc6

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[[Image:2qc6.jpg|left|200px]]
[[Image:2qc6.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2qc6 |SIZE=350|CAPTION= <scene name='initialview01'>2qc6</scene>, resolution 1.85&Aring;
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The line below this paragraph, containing "STRUCTURE_2qc6", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:G12+Binding+Site+For+Residue+A+1'>AC1</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=CSO:S-HYDROXYCYSTEINE'>CSO</scene>, <scene name='pdbligand=G12:3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE'>G12</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= ACK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=4577 Zea mays])
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-->
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|DOMAIN=
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{{STRUCTURE_2qc6| PDB=2qc6 | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2qc6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qc6 OCA], [http://www.ebi.ac.uk/pdbsum/2qc6 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2qc6 RCSB]</span>
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}}
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'''Protein kinase CK2 in complex with DBC'''
'''Protein kinase CK2 in complex with DBC'''
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[[Category: Zea mays]]
[[Category: Zea mays]]
[[Category: Battistutta, R.]]
[[Category: Battistutta, R.]]
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[[Category: ck2]]
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[[Category: Ck2]]
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[[Category: coumarin]]
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[[Category: Coumarin]]
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[[Category: dbc]]
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[[Category: Dbc]]
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[[Category: kinase inhibitor]]
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[[Category: Kinase 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 Wed Apr 16 23:07:30 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:47:30 2008''
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Revision as of 20:07, 16 April 2008

Image:2qc6.jpg

Template:STRUCTURE 2qc6

Protein kinase CK2 in complex with DBC


Overview

Casein kinase 2 (CK2) is an ubiquitous, essential, and highly pleiotropic protein kinase whose abnormally high constitutive activity is suspected to underlie its pathogenic potential in neoplasia and other diseases. Recently, using different virtual screening approaches, we have identified several novel CK2 inhibitors. In particular, we have discovered that coumarin moiety can be considered an attractive CK2 inhibitor scaffold. In the present work, we have synthetized and tested a small library of coumarins (more than 60), rationalizing the observed structure-activity relationship. Moreover, the most promising inhibitor, 3,8-dibromo-7-hydroxy-4-methylchromen-2-one (DBC), has been also crystallized in complex with CK2, and the experimental binding mode has been used to derive a linear interaction energy (LIE) model.

About this Structure

2QC6 is a Single protein structure of sequence from Zea mays. Full crystallographic information is available from OCA.

Reference

Coumarin as Attractive Casein Kinase 2 (CK2) Inhibitor Scaffold: An Integrate Approach To Elucidate the Putative Binding Motif and Explain Structure-Activity Relationships., Chilin A, Battistutta R, Bortolato A, Cozza G, Zanatta S, Poletto G, Mazzorana M, Zagotto G, Uriarte E, Guiotto A, Pinna LA, Meggio F, Moro S, J Med Chem. 2008 Feb 28;51(4):752-759. Epub 2008 Feb 6. PMID:18251491 Page seeded by OCA on Wed Apr 16 23:07:30 2008

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OCA

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