2h9v: Difference between revisions
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[[Image:2h9v.gif|left|200px]] | [[Image:2h9v.gif|left|200px]] | ||
'''Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y27632''' | {{Structure | ||
|PDB= 2h9v |SIZE=350|CAPTION= <scene name='initialview01'>2h9v</scene>, resolution 3.100Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=Y27:(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE'>Y27</scene> | |||
|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] | |||
|GENE= | |||
}} | |||
'''Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y27632''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2H9V is a [ | 2H9V is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2H9V OCA]. | ||
==Reference== | ==Reference== | ||
Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y-27632., Yamaguchi H, Miwa Y, Kasa M, Kitano K, Amano M, Kaibuchi K, Hakoshima T, J Biochem. 2006 Sep;140(3):305-11. Epub 2006 Aug 4. PMID:[http:// | Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y-27632., Yamaguchi H, Miwa Y, Kasa M, Kitano K, Amano M, Kaibuchi K, Hakoshima T, J Biochem. 2006 Sep;140(3):305-11. Epub 2006 Aug 4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16891330 16891330] | ||
[[Category: Bos taurus]] | [[Category: Bos taurus]] | ||
[[Category: Non-specific serine/threonine protein kinase]] | [[Category: Non-specific serine/threonine protein kinase]] | ||
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[[Category: protein kinase-inhibitor complex]] | [[Category: protein kinase-inhibitor complex]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:14:25 2008'' | ||
Revision as of 15:14, 20 March 2008
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| 2h9v, resolution 3.100Å | |||||||||||||
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| Ligands: | Y27 | ||||||||||||
| Activity: | Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y27632
Overview
Rho-kinase is a main player in the regulation of cytoskeletal events and a promising drug target in the treatment of both vascular and neurological disorders. Here we report the crystal structure of the Rho-kinase catalytic domain in complex with the specific inhibitor Y-27632. Comparison with the structure of PKA bound to this inhibitor revealed a potential induced-fit binding mode that can be accommodated by the phosphate binding loop. This binding mode resembles to that observed in the Rho-kinase-fasudil complex. A structural database search indicated that a pocket underneath the phosphate-binding loop is present that favors binding to a small aromatic ring. Introduction of such a ring group might spawn a new modification scheme of pre-existing protein kinase inhibitors for improved binding capability.
About this Structure
2H9V is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.
Reference
Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y-27632., Yamaguchi H, Miwa Y, Kasa M, Kitano K, Amano M, Kaibuchi K, Hakoshima T, J Biochem. 2006 Sep;140(3):305-11. Epub 2006 Aug 4. PMID:16891330
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