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| - | [[Image:3bw5.jpg|left|200px]]<br /><applet load="3bw5" size="350" color="white" frame="true" align="right" spinBox="true" | + | #REDIRECT [[3juh]] This PDB entry is obsolete and replaced by 3juh |
| - | caption="3bw5, resolution 1.66Å" />
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| - | '''Crystal structure of a mutant of human protein kinase CK2alpha with altered cosubstrate specificity'''<br />
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| - | ==Overview==
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| - | The Ser/Thr kinase CK2 (previously called casein kinase 2) is composed of two catalytic chains (CK2alpha) attached to a dimer of noncatalytic subunits (CK2beta). CK2 is involved in suppression of apoptosis, cell survival, and tumorigenesis. To investigate these activities and possibly affect them, selective CK2 inhibitors are required. An often-used CK2 inhibitor is 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole (DRB). In a complex structure with human CK2alpha, DRB binds to the canonical ATP cleft, but additionally it occupies an allosteric site that can be alternatively filled by glycerol. Inhibition kinetic studies corroborate the dual binding mode of the inhibitor. Structural comparisons reveal a surprising conformational plasticity of human CK2alpha around both DRB binding sites. After local rearrangement, the allosteric site serves as a CK2beta interface. This opens the potential to construct molecules interfering with the CK2alpha/CK2beta interaction.
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| - | ==About this Structure==
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| - | 3BW5 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=CL:'>CL</scene>, <scene name='pdbligand=ANP:'>ANP</scene> and <scene name='pdbligand=GOL:'>GOL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. This structure supersedes the now removed PDB entry 1YMI. 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 Sites: <scene name='pdbsite=AC1:Cl+Binding+Site+For+Residue+A+336'>AC1</scene>, <scene name='pdbsite=AC2:Anp+Binding+Site+For+Residue+A+340'>AC2</scene> and <scene name='pdbsite=AC3:Gol+Binding+Site+For+Residue+A+341'>AC3</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BW5 OCA].
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| - | ==Reference==
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| - | The CK2alpha/CK2beta Interface of Human Protein Kinase CK2 Harbors a Binding Pocket for Small Molecules., Raaf J, Brunstein E, Issinger OG, Niefind K, Chem Biol. 2008 Feb;15(2):111-7. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=18291315 18291315]
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| - | [[Category: Homo sapiens]]
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| - | [[Category: Non-specific serine/threonine protein kinase]]
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| - | [[Category: Single protein]]
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| - | [[Category: Ermakova, I.]]
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| - | [[Category: Issinger, O G.]]
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| - | [[Category: Niefind, K.]]
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| - | [[Category: Raaf, J.]]
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| - | [[Category: Yde, C W.]]
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| - | [[Category: ANP]]
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| - | [[Category: CL]]
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| - | [[Category: GOL]]
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| - | [[Category: atp-binding]]
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| - | [[Category: casein kinase 2]]
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| - | [[Category: casein kinase ii]]
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| - | [[Category: nucleotide-binding]]
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| - | [[Category: protein kinase ck2]]
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| - | [[Category: serine/threonine-protein kinase]]
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| - | [[Category: transferase]]
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| - | [[Category: wnt signaling pathway]]
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| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Mar 5 13:26:19 2008''
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