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2h9v
From Proteopedia
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|PDB= 2h9v |SIZE=350|CAPTION= <scene name='initialview01'>2h9v</scene>, resolution 3.100Å | |PDB= 2h9v |SIZE=350|CAPTION= <scene name='initialview01'>2h9v</scene>, resolution 3.100Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=Y27:(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE'>Y27</scene> | + | |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] | + | |ACTIVITY= <span class='plainlinks'>[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] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[2f2u|2F2U]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2h9v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2h9v OCA], [http://www.ebi.ac.uk/pdbsum/2h9v PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2h9v RCSB]</span> | ||
}} | }} | ||
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[[Category: Miwa, Y.]] | [[Category: Miwa, Y.]] | ||
[[Category: Yamaguchi, H.]] | [[Category: Yamaguchi, H.]] | ||
| - | [[Category: Y27]] | ||
[[Category: protein kinase-inhibitor complex]] | [[Category: protein kinase-inhibitor complex]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:27:36 2008'' |
Revision as of 00:27, 31 March 2008
| |||||||
| , resolution 3.100Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Activity: | Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 | ||||||
| Related: | 2F2U
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| 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
Page seeded by OCA on Mon Mar 31 03:27:36 2008
