2qc6

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(New page: 200px<br /><applet load="2qc6" size="350" color="white" frame="true" align="right" spinBox="true" caption="2qc6, resolution 1.85&Aring;" /> '''Protein kinase CK2 i...)
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[[Image:2qc6.jpg|left|200px]]<br /><applet load="2qc6" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2qc6.jpg|left|200px]]
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caption="2qc6, resolution 1.85&Aring;" />
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'''Protein kinase CK2 in complex with DBC'''<br />
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{{Structure
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|PDB= 2qc6 |SIZE=350|CAPTION= <scene name='initialview01'>2qc6</scene>, resolution 1.85&Aring;
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|SITE= <scene name='pdbsite=AC1:G12+Binding+Site+For+Residue+A+1'>AC1</scene>
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|LIGAND= <scene name='pdbligand=G12:'>G12</scene>
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|ACTIVITY= [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]
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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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'''Protein kinase CK2 in complex with DBC'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2QC6 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Zea_mays Zea mays] with <scene name='pdbligand=G12:'>G12</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Known structural/functional Site: <scene name='pdbsite=AC1:G12+Binding+Site+For+Residue+A+1'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QC6 OCA].
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2QC6 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Zea_mays Zea mays]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QC6 OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=18251491 18251491]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/18251491 18251491]
[[Category: Non-specific serine/threonine protein kinase]]
[[Category: Non-specific serine/threonine protein kinase]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: G12]]
[[Category: G12]]
[[Category: ck2]]
[[Category: ck2]]
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[[Category: coumarins]]
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[[Category: coumarin]]
[[Category: dbc]]
[[Category: dbc]]
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[[Category: kinase inhibitors]]
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[[Category: kinase inhibitor]]
[[Category: transferase]]
[[Category: transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 27 07:58:58 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:24:18 2008''

Revision as of 16:24, 20 March 2008

Image:2qc6.jpg


PDB ID 2qc6

Drag the structure with the mouse to rotate
, resolution 1.85Å
Sites:
Ligands:
Gene: ACK2 (Zea mays)
Activity: Non-specific serine/threonine protein kinase, with EC number 2.7.11.1
Coordinates: save as pdb, mmCIF, xml



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 Thu Mar 20 18:24:18 2008

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