3zrk Summary


Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors

The structure was published by Gentile, G., Bernasconi, G., Pozzan, A., et al., Cutler, G., Neu, M., and Takada, M., in 2011 in a paper entitled "Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.37 Å and deposited in 2011.

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

This PDB entry contains a complex of 2 biomacromolecules, namely GLYCOGEN SYNTHASE KINASE-3 BETA and PROTO-ONCOGENE FRAT1.

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 has more than one probable quaternary state observed. For more details see the quaternary structure page.

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 GLYCOGEN SYNTHASE KINASE-3 BETA P49841 (23-393) (GSK3B_HUMAN)search Homo sapienssearch 91% 371 94%
B GLYCOGEN SYNTHASE KINASE-3 BETA P49841 (23-393) (GSK3B_HUMAN)search Homo sapienssearch 91% 371 94%
X PROTO-ONCOGENE FRAT1 Q92837 (197-226) (FRAT1_HUMAN)search Homo sapienssearch < 90% 32 75%
Y PROTO-ONCOGENE FRAT1 Q92837 (197-226) (FRAT1_HUMAN)search Homo sapienssearch < 90% 32 75%

This entry contains 2 unique UniProt proteins:

UniProt accession Name Organism PDB
P49841 (23 - 393) GLYCOGEN SYNTHASE KINASE-3 BETA Homo sapiens
Q92837 (197 - 226) PROTO-ONCOGENE FRAT1 Homo sapiens

Chain Structural classification (CATH) Sequence family (Pfam)
A, B (P49841) Phosphorylase Kinase; domain 1search, Transferase(Phosphotransferase) domain 1search PF00069: Protein kinase domainsearch
X, Y Glycogen synthase kinase-3 bindingsearch

Chain ID Molecular function (GO) Biological process (GO)
A, B (P49841) transferase activity, transferring phosphorus-containing groupssearch ATP bindingsearch protein serine/threonine kinase activitysearch protein kinase activitysearch protein phosphorylationsearch

Chain InterPro annotation
A, B Protein kinase domainsearch Serine/threonine/dual specificity protein kinase, catalytic domainsearch Serine/threonine-protein kinase, active sitesearch Protein kinase-like domainsearch Protein kinase, ATP binding sitesearch
X, Y Glycogen synthase kinase-3 binding proteinsearch