1zog: Difference between revisions

Revision as of 17:17, 21 February 2008

Crystal structure of protein kinase CK2 in complex with TBB-derivatives

OverviewOverview

CK2 is a very pleiotropic protein kinase whose high constitutive activity is suspected to cooperate to neoplasia. Here, the crystal structure of the complexes between CK2 and three selective tetrabromo-benzimidazole derivatives inhibiting CK2 with Ki values between 40 and 400 nM are presented. The ligands bind to the CK2 active site in a different way with respect to the parent compound TBB. They enter more deeply into the cavity, establishing halogen bonds with the backbone of Glu114 and Val116 in the hinge region. A detailed analysis of the interactions highlights a major role of the hydrophobic effect in establishing the rank of potency within this class of inhibitors and shows that polar interactions are responsible for the different orientation of the molecules in the active site.

About this StructureAbout this Structure

1ZOG is a Single protein structure of sequence from Zea mays with as ligand. Active as Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 Full crystallographic information is available from OCA.

ReferenceReference

Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole., Battistutta R, Mazzorana M, Sarno S, Kazimierczuk Z, Zanotti G, Pinna LA, Chem Biol. 2005 Nov;12(11):1211-9. PMID:16298300

Page seeded by OCA on Thu Feb 21 16:17:34 2008

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OCA

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-[[Image:1zog.gif|left|200px]]<br /><applet load="1zog" size="450" color="white" frame="true" align="right" spinBox="true"
+[[Image:1zog.gif|left|200px]]<br /><applet load="1zog" size="350" color="white" frame="true" align="right" spinBox="true"
 caption="1zog, resolution 2.30&Aring;" />
 '''Crystal structure of protein kinase CK2 in complex with TBB-derivatives'''<br />
 ==Overview==
-CK2 is a very pleiotropic protein kinase whose high constitutive activity, is suspected to cooperate to neoplasia. Here, the crystal structure of the, complexes between CK2 and three selective tetrabromo-benzimidazole, derivatives inhibiting CK2 with Ki values between 40 and 400 nM are, presented. The ligands bind to the CK2 active site in a different way with, respect to the parent compound TBB. They enter more deeply into the, cavity, establishing halogen bonds with the backbone of Glu114 and Val116, in the hinge region. A detailed analysis of the interactions highlights a, major role of the hydrophobic effect in establishing the rank of potency, within this class of inhibitors and shows that polar interactions are, responsible for the different orientation of the molecules in the active, site.
+CK2 is a very pleiotropic protein kinase whose high constitutive activity is suspected to cooperate to neoplasia. Here, the crystal structure of the complexes between CK2 and three selective tetrabromo-benzimidazole derivatives inhibiting CK2 with Ki values between 40 and 400 nM are presented. The ligands bind to the CK2 active site in a different way with respect to the parent compound TBB. They enter more deeply into the cavity, establishing halogen bonds with the backbone of Glu114 and Val116 in the hinge region. A detailed analysis of the interactions highlights a major role of the hydrophobic effect in establishing the rank of potency within this class of inhibitors and shows that polar interactions are responsible for the different orientation of the molecules in the active site.
 ==About this Structure==
-ZOG 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 K37 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] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1ZOG OCA].
+ZOG 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=K37:'>K37</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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZOG OCA].
 ==Reference==
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 [[Category: Kazimierczuk, Z.]]
 [[Category: Mazzorana, M.]]
-[[Category: Pinna, L.A.]]
+[[Category: Pinna, L A.]]
 [[Category: Sarno, S.]]
 [[Category: Zanotti, G.]]
@@ Line 27: / Line 27: @@
 [[Category: tetrabromo-benzimidazole]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 07:34:31 2007''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:17:34 2008''