2f7e Summary


PKA complexed with (S)-2-(1H-Indol-3-yl)-1-(5-isoquinolin-6-yl-pyridin-3-yloxymethyl-etylamine

The structure was published by Li, Q., Woods, K.W., Thomas, S., et al., Jakob, C.G., Rosenberg, S.H., and Giranda, V.L., in 2006 in a paper entitled "Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.0 Å and deposited in 2005.

The experimental data on which the structure is based was not deposited.

This PDB entry contains a complex of 2 biomacromolecules, namely cAMP-dependent protein kinase, alpha-catalytic subunit and PKI inhibitory peptide.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule most likely forms heterodimers.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):

Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
E cAMP-dependent protein kinase, alpha-catalytic subunit P00517 (1-351) (KAPCA_BOVIN)search Bos taurussearch 96% 351 95%
I PKI inhibitory peptide P61925 (6-25) (IPKA_HUMAN)search Homo sapienssearch < 90% 20 100%

This entry contains 2 unique UniProt proteins:

UniProt accession Name Organism PDB
P00517 (1 - 351) cAMP-dependent protein kinase, alpha-catalytic subunit Bos taurus
P61925 (6 - 25) PKI inhibitory peptide

Chain Structural classification (SCOP) Structural classification (CATH) Sequence family (Pfam)
E (P00517) Protein kinases, catalytic subunitsearch Transferase(Phosphotransferase) domain 1search, Phosphorylase Kinase; domain 1search PF00069: Protein kinase domainsearch
I cAMP-dependent protein kinase inhibitorsearch

Chain ID Biological process (GO) Molecular function (GO) Cellular component (GO)
E (P00517) protein phosphorylationsearch protein autophosphorylationsearch phosphorylationsearch cellular response to glucose stimulussearch regulation of osteoblast differentiationsearch regulation of proteasomal protein catabolic processsearch sperm capacitationsearch regulation of tight junction assemblysearch positive regulation of cell cycle arrestsearch peptidyl-serine phosphorylationsearch regulation of synaptic transmissionsearch mesoderm formationsearch cellular response to parathyroid hormone stimulussearch positive regulation of protein export from nucleussearch protein kinase activitysearch transferase activity, transferring phosphorus-containing groupssearch protein serine/threonine kinase activitysearch cAMP-dependent protein kinase activitysearch protein bindingsearch ATP bindingsearch transferase activitysearch nucleotide bindingsearch protein kinase bindingsearch kinase activitysearch ubiquitin protein ligase bindingsearch protein kinase A regulatory subunit bindingsearch membranesearch plasma membranesearch neuromuscular junctionsearch AMP-activated protein kinase complexsearch mitochondrionsearch sperm midpiecesearch cytoplasmsearch nucleussearch centrosomesearch

Chain InterPro annotation
E Protein kinase domainsearch AGC-kinase, C-terminalsearch Serine/threonine/dual specificity protein kinase, catalytic domainsearch Serine/threonine-protein kinase, active sitesearch Protein kinase-like domainsearch Protein kinase, ATP binding sitesearch
I cAMP-dependent protein kinase inhibitorsearch