1zoh

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[[Image:1zoh.gif|left|200px]]
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{{STRUCTURE_1zoh| PDB=1zoh | SCENE= }}
{{STRUCTURE_1zoh| PDB=1zoh | SCENE= }}
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'''Crystal structure of protein kinase CK2 in complex with TBB-derivatives inhibitors'''
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===Crystal structure of protein kinase CK2 in complex with TBB-derivatives inhibitors===
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==Overview==
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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.
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(as it appears on PubMed at http://www.pubmed.gov), where 16298300 is the PubMed ID number.
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{{ABSTRACT_PUBMED_16298300}}
==About this Structure==
==About this Structure==
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[[Category: Tbb]]
[[Category: Tbb]]
[[Category: Tetrabromo-benzimidazole]]
[[Category: Tetrabromo-benzimidazole]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 17:52:40 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 14:50:12 2008''

Revision as of 11:50, 29 July 2008

Image:1zoh.png

Template:STRUCTURE 1zoh

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

Template:ABSTRACT PUBMED 16298300

About this Structure

1ZOH is a Single protein structure of sequence from Zea mays. Full crystallographic information is available from OCA.

Reference

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

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