2oxx: Difference between revisions

Revision as of 11:54, 4 May 2008

Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17, K22 and K32

OverviewOverview

CK2 is a highly pleiotropic Ser/Thr protein kinase that is able to promote cell survival and enhance the tumour phenotype under specific circumstances. We have determined the crystal structure of three new complexes with tetrabromobenzimidazole derivatives that display K(i) values between 0.15 and 0.30 microM. A comparative analysis of these data with those of four other inhibitors of the same family revealed the presence of some highly conserved water molecules in the ATP-binding site. These waters reside near Lys68, in an area with a positive electrostatic potential that is able to attract and orient negatively charged ligands. The presence of this positive region and two unique bulky residues that are typical of CK2, Ile66 and Ile174, play a critical role in determining the ligand orientation and binding selectivity.

About this StructureAbout this Structure

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

ReferenceReference

The ATP-binding site of protein kinase CK2 holds a positive electrostatic area and conserved water molecules., Battistutta R, Mazzorana M, Cendron L, Bortolato A, Sarno S, Kazimierczuk Z, Zanotti G, Moro S, Pinna LA, Chembiochem. 2007 Oct 15;8(15):1804-9. PMID:17768728 Page seeded by OCA on Sun May 4 11:54:07 2008

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OCA

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 [[Image:2oxx.jpg|left|200px]]
- {{Structure
+<!--
-|PDB= 2oxx |SIZE=350|CAPTION= <scene name='initialview01'>2oxx</scene>, resolution 2.30&Aring;
+The line below this paragraph, containing "STRUCTURE_2oxx", creates the "Structure Box" on the page.
-|SITE=
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=K22:4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-THIONE'>K22</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|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>
+or leave the SCENE parameter empty for the default display.
-|GENE= ACK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=4577 Zea mays])
+-->
-|DOMAIN=
+{{STRUCTURE_2oxx|  PDB=2oxx  |  SCENE=  }}
-|RELATEDENTRY=[[1j91|1J91]], [[1zoh|1ZOH]], [[1zog|1ZOG]], [[1zoe|1ZOE]], [[2oxd|2OXD]], [[2oxy|2OXY]]
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2oxx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2oxx OCA], [http://www.ebi.ac.uk/pdbsum/2oxx PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2oxx RCSB]</span>
-}}
 '''Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17, K22 and K32'''
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 [[Category: Cendron, L.]]
 [[Category: Zanotti, G.]]
-[[Category: inhibitor]]
+[[Category: Inhibitor]]
-[[Category: protein kinase ck2]]
+[[Category: Protein kinase ck2]]
-[[Category: tetrabromobenzoimidazole derivative]]
+[[Category: Tetrabromobenzoimidazole derivative]]
-[[Category: transferase]]
+[[Category: Transferase]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 11:54:07 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:24:52 2008''