4JPS: Co-crystal Structures of the Lipid Kinase PI3K alpha with Pan and Isoform Selective Inhibitors

PDB ID: 4JPSDownload
MMDB ID: 118771
PDB Deposition Date: 2013/3/19
Updated in MMDB: 2017/11
Experimental Method:
x-ray diffraction
Resolution: 2.2  Å
Source Organism:
Similar Structures:
Biological Unit for 4JPS: dimeric; determined by author and by software (PISA)
Molecular Components in 4JPS
Label Count Molecule
Proteins (2 molecules)
1
Phosphatidylinositol 4,5-bisphosphate 3-kinase Catalytic Subunit Alpha Isoform
(Gene symbol: PIK3CA)
Molecule annotation
1
Phosphatidylinositol 3-kinase Regulatory Subunit Alpha
(Gene symbol: PIK3R1)
Molecule annotation
Chemicals and Non-standard biopolymers (2 molecules)
1
1
THIOCYANATE ION (Link to PubChem not yet available)THIOCYANATE ION
2
1
(2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide (Link to PubChem not yet available)(2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303