1uu9: Difference between revisions
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|PDB= 1uu9 |SIZE=350|CAPTION= <scene name='initialview01'>1uu9</scene>, resolution 1.95Å | |PDB= 1uu9 |SIZE=350|CAPTION= <scene name='initialview01'>1uu9</scene>, resolution 1.95Å | ||
|SITE= <scene name='pdbsite=BC6:Bi3+Binding+Site+For+Chain+A'>BC6</scene> | |SITE= <scene name='pdbsite=BC6:Bi3+Binding+Site+For+Chain+A'>BC6</scene> | ||
|LIGAND= | |LIGAND= <scene name='pdbligand=BI3:3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE'>BI3</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=1uu9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1uu9 OCA], [http://www.ebi.ac.uk/pdbsum/1uu9 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1uu9 RCSB]</span> | |||
}} | }} | ||
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==Reference== | ==Reference== | ||
Interactions of LY333531 and other bisindolyl maleimide inhibitors with PDK1., Komander D, Kular GS, Schuttelkopf AW, Deak M, Prakash KR, Bain J, Elliott M, Garrido-Franco M, Kozikowski AP, Alessi DR, van Aalten DM, Structure. 2004 Feb;12(2):215-26. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/14962382 14962382] | Interactions of LY333531 and other bisindolyl maleimide inhibitors with PDK1., Komander D, Kular GS, Schuttelkopf AW, Deak M, Prakash KR, Bain J, Elliott M, Garrido-Franco M, Kozikowski AP, Alessi DR, van Aalten DM, Structure. 2004 Feb;12(2):215-26. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/14962382 14962382] | ||
[[Category: Non-specific serine/threonine protein kinase]] | |||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Spodoptera frugiperda]] | [[Category: Spodoptera frugiperda]] | ||
[[Category: Aalten, D M.F Van.]] | [[Category: Aalten, D M.F Van.]] | ||
[[Category: Alessi, D R.]] | [[Category: Alessi, D R.]] | ||
| Line 34: | Line 37: | ||
[[Category: Prakash, K R.]] | [[Category: Prakash, K R.]] | ||
[[Category: Schuttelkopf, A W.]] | [[Category: Schuttelkopf, A W.]] | ||
[[Category: bim-1]] | [[Category: bim-1]] | ||
[[Category: bisindolyl maleimide]] | [[Category: bisindolyl maleimide]] | ||
| Line 49: | Line 49: | ||
[[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 00:15:20 2008'' | ||
Revision as of 00:15, 31 March 2008
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| , resolution 1.95Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | |||||||
| 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 HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH BIM-3
OverviewOverview
LY333531, BIM-1, BIM-2, BIM-3, and BIM-8 are bisindolyl maleimide-based, nanomolar protein kinase C inhibitors. LY333531, a PKCbeta-specific inhibitor, is in clinical trials against diabetes and cardiac ventricular hypertrophy complications. Specificity analysis with a panel of 29 protein kinases reveals that these bisindolyl maleimide inhibitors also inhibit PDK1, a key kinase from the insulin signaling pathway, albeit in the lower microM range. To understand the molecular basis of inhibition, the PDK1 kinase domain was cocrystallized with these bisindolyl maleimide inhibitors. The inhibitor complexes represent the first structural description of this class of compounds, revealing their unusual nonplanar conformation within the ATP binding site and also explaining the higher inhibitory potential of LY33331 compared to the BIM compounds toward PDK1. A combination of site-directed mutagenesis and essential dynamics analysis gives further insight into PDK1 and also PKC inhibition by these compounds, and may aid inhibitor design.
About this StructureAbout this Structure
1UU9 is a Single protein structure of sequence from Spodoptera frugiperda. Full crystallographic information is available from OCA.
ReferenceReference
Interactions of LY333531 and other bisindolyl maleimide inhibitors with PDK1., Komander D, Kular GS, Schuttelkopf AW, Deak M, Prakash KR, Bain J, Elliott M, Garrido-Franco M, Kozikowski AP, Alessi DR, van Aalten DM, Structure. 2004 Feb;12(2):215-26. PMID:14962382
Page seeded by OCA on Mon Mar 31 00:15:20 2008
Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)
OCA- Pages with broken file links
- Non-specific serine/threonine protein kinase
- Single protein
- Spodoptera frugiperda
- Aalten, D M.F Van.
- Alessi, D R.
- Bain, J.
- Deak, M.
- Elliot, M.
- Garrido-Franco, M.
- Komander, D.
- Kozikowski, A P.
- Kular, G S.
- Prakash, K R.
- Schuttelkopf, A W.
- Bim-1
- Bisindolyl maleimide
- Cancer
- Diabetes
- Inhibitor
- Ly333531
- Pdk1
- Pkb
- Protein kinase
- Serine/threonine-protein kinase
- Transferase