2vo3 Summary

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STRUCTURE OF PKA-PKB CHIMERA COMPLEXED WITH C-(4-(4-CHLOROPHENYL)-1-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)PIPERIDIN-4-YL)METHYLAMINE

The structure was published by Caldwell, J.J., Davies, T.G., Donald, A., et al., Workman, P., Garrett, M.D., and Collins, I., in 2008 in a paper entitled "Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 1.98 Å and deposited in 2008.

The experimental data on which the structure is based was also deposited.

This PDB entry contains a complex of 2 biomacromolecules, namely CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT and CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA.

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
A CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT P00517 (1-351) (KAPCA_BOVIN)search Bos taurussearch 96% 351 96%
I CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA 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) CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA HOMO SAPIENS

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

Chain ID Molecular function (GO) Cellular component (GO) Biological process (GO)
A (P00517) ATP bindingsearch transferase activitysearch protein serine/threonine/tyrosine kinase activitysearch protein kinase bindingsearch protein bindingsearch nucleotide bindingsearch protein kinase activitysearch transferase activity, transferring phosphorus-containing groupssearch protein serine/threonine kinase activitysearch cAMP-dependent protein kinase activitysearch ubiquitin protein ligase bindingsearch protein kinase A regulatory subunit bindingsearch kinase activitysearch plasma membranesearch neuromuscular junctionsearch membranesearch centrosomesearch mitochondrionsearch sperm midpiecesearch cytoplasmsearch extracellular vesicular exosomesearch ciliary basesearch nucleussearch AMP-activated protein kinase complexsearch sperm capacitationsearch protein phosphorylationsearch cellular response to parathyroid hormone stimulussearch protein autophosphorylationsearch regulation of proteasomal protein catabolic processsearch cellular response to glucose stimulussearch peptidyl-serine phosphorylationsearch positive regulation of cell cycle arrestsearch positive regulation of protein export from nucleussearch mesoderm formationsearch regulation of synaptic transmissionsearch regulation of tight junction assemblysearch negative regulation of smoothened signaling pathway involved in dorsal/ventral neural tube patterningsearch neural tube closuresearch regulation of protein processingsearch regulation of osteoblast differentiationsearch peptidyl-threonine phosphorylationsearch phosphorylationsearch
I (P61925) cAMP-dependent protein kinase inhibitor activitysearch negative regulation of protein kinase activitysearch

Chain InterPro annotation
A 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