3bw5

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[[Image:3bw5.jpg|left|200px]]<br /><applet load="3bw5" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:3bw5.jpg|left|200px]]
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caption="3bw5, resolution 1.66&Aring;" />
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'''Crystal structure of a mutant of human protein kinase CK2alpha with altered cosubstrate specificity'''<br />
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{{Structure
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|PDB= 3bw5 |SIZE=350|CAPTION= <scene name='initialview01'>3bw5</scene>, resolution 1.66&Aring;
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|SITE= <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>
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|LIGAND= <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=ANP:PHOSPHOAMINOPHOSPHONIC+ACID-ADENYLATE+ESTER'>ANP</scene> and <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>
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|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]
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|GENE= csnk2a1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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}}
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'''Crystal structure of a mutant of human protein kinase CK2alpha with altered cosubstrate specificity'''
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==Overview==
==Overview==
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==About this Structure==
==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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3BW5 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. This structure supersedes the now removed PDB entry 1YMI. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BW5 OCA].
==Reference==
==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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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://www.ncbi.nlm.nih.gov/pubmed/18291315 18291315]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Non-specific serine/threonine protein kinase]]
[[Category: Non-specific serine/threonine protein kinase]]
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[[Category: wnt signaling pathway]]
[[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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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 19:01:33 2008''

Revision as of 17:01, 20 March 2008

Image:3bw5.jpg


PDB ID 3bw5

Drag the structure with the mouse to rotate
, resolution 1.66Å
Sites: , and
Ligands: , and
Gene: csnk2a1 (Homo sapiens)
Activity: Non-specific serine/threonine protein kinase, with EC number 2.7.11.1
Coordinates: save as pdb, mmCIF, xml



Crystal structure of a mutant of human protein kinase CK2alpha with altered cosubstrate specificity


Overview

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.

About this Structure

3BW5 is a Single protein structure of sequence from Homo sapiens. This structure supersedes the now removed PDB entry 1YMI. Full crystallographic information is available from OCA.

Reference

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:18291315

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