7R9V

Structure of PIK3CA with covalent inhibitor 19

Summary for 7R9V

• Entry DOI: 10.2210/pdb7r9v/pdb
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide (2 entities in total)
• Functional Keywords: pi3k, p110, pik3ca, pip3, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 110815.03

Authors

Burke, J.E.,McPhail, J.A. (deposition date: 2021-06-29, release date: 2022-04-06, Last modification date: 2023-10-18)

• Primary citation: Borsari, C.,Keles, E.,McPhail, J.A.,Schaefer, A.,Sriramaratnam, R.,Goch, W.,Schaefer, T.,De Pascale, M.,Bal, W.,Gstaiger, M.,Burke, J.E.,Wymann, M.P.; Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha.; J.Am.Chem.Soc., 144:6326-6342, 2022; PubMed: 35353516; DOI: 10.1021/jacs.1c13568

Experimental method

X-RAY DIFFRACTION (2.69 Å)