1yds

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|PDB= 1yds |SIZE=350|CAPTION= <scene name='initialview01'>1yds</scene>, resolution 2.2&Aring;
|PDB= 1yds |SIZE=350|CAPTION= <scene name='initialview01'>1yds</scene>, resolution 2.2&Aring;
|SITE=
|SITE=
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|LIGAND= <scene name='pdbligand=IQS:N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE'>IQS</scene>
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|LIGAND= <scene name='pdbligand=IQS:N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE'>IQS</scene>, <scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</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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|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=
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|DOMAIN=
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1yds FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1yds OCA], [http://www.ebi.ac.uk/pdbsum/1yds PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1yds RCSB]</span>
}}
}}
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[[Category: Huber, R.]]
[[Category: Huber, R.]]
[[Category: Kinzel, V.]]
[[Category: Kinzel, V.]]
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[[Category: IQS]]
 
[[Category: atp-binding]]
[[Category: atp-binding]]
[[Category: camp]]
[[Category: camp]]
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[[Category: transferase]]
[[Category: transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:21:31 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:03:58 2008''

Revision as of 22:04, 30 March 2008

Image:1yds.gif


PDB ID 1yds

Drag the structure with the mouse to rotate
, resolution 2.2Å
Ligands: , ,
Activity: Non-specific serine/threonine protein kinase, with EC number 2.7.11.1
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H8 PROTEIN KINASE INHIBITOR [N-(2-METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE


Overview

The discovery of several hundred different protein kinases involved in highly diverse cellular signaling pathways is in stark contrast to the much smaller number of known modulators of cell signaling. Of these, the H series protein kinase inhibitors (1-(5-isoquinolinesulfonyl)-2-methylpiperazine (H7), N-[2-(methylamino)ethyl]-5-isoquinolinesulfonamide (H8) N-[2-(p-Bromocinnamylamino)ethyl]-5-isoquinolinesulfonamide (H89)) are frequently used to block signaling pathways in studies of cellular regulation. To elucidate inhibition mechanisms at atomic resolution and to enable structure-based drug design of potential therapeutic modulators of signaling pathways, we determined the crystal structures of corresponding complexes with the cAPK catalytic subunit. Complexes with H7 and H8 (2.2 A) and with H89 (2.3 A) define the binding mode of the isoquinoline-sulfonamide derivatives in the ATP-binding site while demonstrating effects of ligand-induced structural change. Specific interactions between the enzyme and the inhibitors include the isoquinoline ring nitrogen ligating to backbone amide of Val-123 and an inhibitor side chain amide bonding to the backbone carbonyl of Glu-170. The conservation of the ATP-binding site of protein kinases allows evaluation of factors governing general selectivity of these inhibitors among kinases. These results should assist efforts in the design of protein kinase inhibitors with specific properties.

About this Structure

1YDS is a Protein complex structure of sequences from Bos taurus. Full crystallographic information is available from OCA.

Reference

Crystal structures of catalytic subunit of cAMP-dependent protein kinase in complex with isoquinolinesulfonyl protein kinase inhibitors H7, H8, and H89. Structural implications for selectivity., Engh RA, Girod A, Kinzel V, Huber R, Bossemeyer D, J Biol Chem. 1996 Oct 18;271(42):26157-64. PMID:8824261

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