8V8U: PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12)

PDB ID: 8V8UDownload
MMDB ID: 244398
PDB Deposition Date: 2023/12/6
Updated in MMDB: 2024/04
Experimental Method:
x-ray diffraction
Resolution: 2.93  Å
Source Organism:
Similar Structures:
Biological Unit for 8V8U: dimeric; determined by author and by software (PISA)
Molecular Components in 8V8U
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
(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(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
2
1
(3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium(3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium
* 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