3S2A

Crystal structure of PI3K-gamma in complex with a quinoline inhibitor

Summary for 3S2A

• Entry DOI: 10.2210/pdb3s2a/pdb
• Descriptor: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, ... (4 entities in total)
• Functional Keywords: p110-gamma, kinase, phosphotransfer, p101, p84, leukocytes, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 110611.20

Authors

Whittington, D.A.,Tang, J.,Yakowec, P. (deposition date: 2011-05-16, release date: 2011-06-08, Last modification date: 2023-09-13)

• Primary citation: Nishimura, N.,Siegmund, A.,Liu, L.,Yang, K.,Bryan, M.C.,Andrews, K.L.,Bo, Y.,Booker, S.K.,Caenepeel, S.,Freeman, D.,Liao, H.,McCarter, J.,Mullady, E.L.,San Miguel, T.,Subramanian, R.,Tamayo, N.,Wang, L.,Whittington, D.A.,Zalameda, L.,Zhang, N.,Hughes, P.E.,Norman, M.H.; Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives.; J.Med.Chem., 54:4735-4751, 2011; PubMed: 21612232; DOI: 10.1021/jm200386s

Experimental method

X-RAY DIFFRACTION (2.55 Å)