2x39 Summary

pdbe.org/2x39
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STRUCTURE OF 4-AMINO-N-(4-CHLOROBENZYL)-1-(7H-PYRROLO(2,3-D) PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE BOUND TO PKB

The structure was published by Mchardy, T., Caldwell, J.J., Cheung, K.M., et al., Aherne, G.W., Garrett, M.D., and Collins, I., in 2010 in a paper entitled "Discovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt)." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 1.93 Å and deposited in 2010.

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

This PDB entry contains a complex of 2 biomacromolecules, namely RAC-BETA SERINE/THREONINE-PROTEIN KINASE and GLYCOGEN SYNTHASE KINASE-3 BETA.

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 RAC-BETA SERINE/THREONINE-PROTEIN KINASE P31751 (146-467) (AKT2_HUMAN)search Homo sapienssearch < 90% 342 92%
C GLYCOGEN SYNTHASE KINASE-3 BETA P49841 (3-12) (GSK3B_HUMAN)search Homo sapienssearch 91% 10 100%


This entry contains 2 unique UniProt proteins:

UniProt accession Name Organism PDB
P31751 (146 - 467) RAC-BETA SERINE/THREONINE-PROTEIN KINASE Homo sapiens
P49841 (3 - 12) GLYCOGEN SYNTHASE KINASE-3 BETA HOMO SAPIENS

Chain Structural classification (CATH) Sequence family (Pfam)
A Phosphorylase Kinase; domain 1search, Transferase(Phosphotransferase) domain 1search Protein kinase domainsearch, Protein kinase C terminal domainsearch
C (P49841)

Chain ID Molecular function (GO) Biological process (GO)
A (P31751) transferase activity, transferring phosphorus-containing groupssearch ATP bindingsearch protein serine/threonine kinase activitysearch protein kinase activitysearch protein phosphorylationsearch

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 Protein kinase, C-terminalsearch
C