7Y1G

Crystal structure of human PRKACA complexed with DS01080522

Summary for 7Y1G

Entry DOI	10.2210/pdb7y1g/pdb
Descriptor	cAMP-dependent protein kinase catalytic subunit alpha, 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, ... (4 entities in total)
Functional Keywords	serine/threonine protein kinase, protein kinase inhibitor, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	82625.22
Authors	Suzuki, M.,Ubukata, O.,Toyoda, A. (deposition date: 2022-06-08, release date: 2022-09-28, Last modification date: 2024-04-03)
Primary citation	Toyota, A.,Goto, M.,Miyamoto, M.,Nagashima, Y.,Iwasaki, S.,Komatsu, T.,Momose, T.,Yoshida, K.,Tsukada, T.,Matsufuji, T.,Ohno, A.,Suzuki, M.,Ubukata, O.,Kaneta, Y. Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model. Biochem.Biophys.Res.Commun., 621:157-161, 2022 Cited by PubMed: 35839742 DOI: 10.1016/j.bbrc.2022.07.008 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation