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 Molecular function (GO) Biological process (GO) Cellular component (GO)
E (P00517) protein serine/threonine/tyrosine kinase activitysearch protein kinase activitysearch cAMP-dependent protein kinase activitysearch protein bindingsearch protein serine/threonine kinase activitysearch ATP bindingsearch transferase activity, transferring phosphorus-containing groupssearch transferase activitysearch protein kinase A regulatory subunit bindingsearch kinase activitysearch protein kinase bindingsearch ubiquitin protein ligase bindingsearch nucleotide bindingsearch mesoderm formationsearch cellular response to glucose stimulussearch regulation of tight junction assemblysearch protein phosphorylationsearch neural tube closuresearch protein autophosphorylationsearch peptidyl-threonine phosphorylationsearch regulation of synaptic transmissionsearch phosphorylationsearch peptidyl-serine phosphorylationsearch regulation of proteasomal protein catabolic processsearch positive regulation of cell cycle arrestsearch positive regulation of protein export from nucleussearch regulation of osteoblast differentiationsearch regulation of protein processingsearch cellular response to parathyroid hormone stimulussearch sperm capacitationsearch negative regulation of smoothened signaling pathway involved in dorsal/ventral neural tube patterningsearch neuromuscular junctionsearch nucleussearch mitochondrionsearch AMP-activated protein kinase complexsearch plasma membranesearch cytoplasmsearch ciliary basesearch centrosomesearch membranesearch sperm midpiecesearch extracellular vesicular exosomesearch

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