2c1a: Difference between revisions
No edit summary |
No edit summary |
||
| Line 4: | Line 4: | ||
|PDB= 2c1a |SIZE=350|CAPTION= <scene name='initialview01'>2c1a</scene>, resolution 1.95Å | |PDB= 2c1a |SIZE=350|CAPTION= <scene name='initialview01'>2c1a</scene>, resolution 1.95Å | ||
|SITE= <scene name='pdbsite=AC1:I5s+Binding+Site+For+Chain+A'>AC1</scene> | |SITE= <scene name='pdbsite=AC1:I5s+Binding+Site+For+Chain+A'>AC1</scene> | ||
|LIGAND= <scene name='pdbligand=I5S:ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE'>I5S</scene> | |LIGAND= <scene name='pdbligand=I5S:ISOQUINOLINE-5-SULFONIC+ACID+(2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE'>I5S</scene>, <scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene> | ||
|ACTIVITY= [http://en.wikipedia.org/wiki/ | |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= | |||
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2c1a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c1a OCA], [http://www.ebi.ac.uk/pdbsum/2c1a PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2c1a RCSB]</span> | |||
}} | }} | ||
| Line 22: | Line 25: | ||
[[Category: Bos taurus]] | [[Category: Bos taurus]] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Non-specific serine/threonine protein kinase]] | |||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
[[Category: Aherne, G W.]] | [[Category: Aherne, G W.]] | ||
[[Category: Bavetsias, V.]] | [[Category: Bavetsias, V.]] | ||
| Line 40: | Line 43: | ||
[[Category: Workman, P.]] | [[Category: Workman, P.]] | ||
[[Category: Wyatt, P G.]] | [[Category: Wyatt, P G.]] | ||
[[Category: atp-binding]] | [[Category: atp-binding]] | ||
[[Category: camp]] | [[Category: camp]] | ||
| Line 49: | Line 51: | ||
[[Category: transferase]] | [[Category: transferase]] | ||
''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 02:14:49 2008'' | ||
Revision as of 23:14, 30 March 2008
| |||||||||||||
| 2c1a, resolution 1.95Å | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sites: | AC1 | ||||||||||||
| Ligands: | I5S, SEP, TPO | ||||||||||||
| 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 COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE
Overview
Structure-based drug design of novel isoquinoline-5-sulfonamide inhibitors of PKB as potential antitumour agents was investigated. Constrained pyrrolidine analogues that mimicked the bound conformation of linear prototypes were identified and investigated by co-crystal structure determinations with the related protein PKA. Detailed variation in the binding modes between inhibitors with similar overall conformations was observed. Potent PKB inhibitors from this series inhibited GSK3beta phosphorylation in cellular assays, consistent with inhibition of PKB kinase activity in cells.
About this Structure
2C1A is a Protein complex structure of sequences from Bos taurus and Homo sapiens. Full crystallographic information is available from OCA.
Reference
Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B., Collins I, Caldwell J, Fonseca T, Donald A, Bavetsias V, Hunter LJ, Garrett MD, Rowlands MG, Aherne GW, Davies TG, Berdini V, Woodhead SJ, Davis D, Seavers LC, Wyatt PG, Workman P, McDonald E, Bioorg Med Chem. 2006 Feb 15;14(4):1255-73. Epub 2005 Oct 24. PMID:16249095
Page seeded by OCA on Mon Mar 31 02:14:49 2008
Proteopedia Page Contributors and Editors (what is this?)
- Pages with broken file links
- Bos taurus
- Homo sapiens
- Non-specific serine/threonine protein kinase
- Protein complex
- Aherne, G W.
- Bavetsias, V.
- Berdini, V.
- Caldwell, J.
- Collins, I.
- Davies, T G.
- Donald, A.
- Fonseca, T.
- Garrett, M D.
- Hunter, L J.
- Mcdonald, E.
- Rowlands, M G.
- Seavers, L C.A.
- Woodhead, S.
- Workman, P.
- Wyatt, P G.
- Atp-binding
- Camp
- Complex (transferase/inhibitor)
- Phosphorylation
- Protein kinase inhibitor
- Serine/threonine-protein kinase
- Transferase
