2qc6
From Proteopedia
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|PDB= 2qc6 |SIZE=350|CAPTION= <scene name='initialview01'>2qc6</scene>, resolution 1.85Å | |PDB= 2qc6 |SIZE=350|CAPTION= <scene name='initialview01'>2qc6</scene>, resolution 1.85Å | ||
|SITE= <scene name='pdbsite=AC1:G12+Binding+Site+For+Residue+A+1'>AC1</scene> | |SITE= <scene name='pdbsite=AC1:G12+Binding+Site+For+Residue+A+1'>AC1</scene> | ||
| - | |LIGAND= <scene name='pdbligand=G12:'>G12</scene> | + | |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> |
| - | |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] | + | |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> |
|GENE= ACK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=4577 Zea mays]) | |GENE= ACK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=4577 Zea mays]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |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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[[Category: Zea mays]] | [[Category: Zea mays]] | ||
[[Category: Battistutta, R.]] | [[Category: Battistutta, R.]] | ||
| - | [[Category: G12]] | ||
[[Category: ck2]] | [[Category: ck2]] | ||
[[Category: coumarin]] | [[Category: coumarin]] | ||
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[[Category: transferase]] | [[Category: transferase]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:47:30 2008'' |
Revision as of 01:47, 31 March 2008
| |||||||
| , resolution 1.85Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | |||||||
| Ligands: | , | ||||||
| Gene: | ACK2 (Zea mays) | ||||||
| Activity: | Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| 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 Mon Mar 31 04:47:30 2008
