6SPM

Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-(trifluoromethyl)benzoic acid

Summary for 6SPM

Entry DOI	10.2210/pdb6spm/pdb
Descriptor	cAMP-dependent protein kinase catalytic subunit alpha, 4-(trifluoromethyl)benzoic acid, METHANOL, ... (5 entities in total)
Functional Keywords	phosphotransferase, signalling pathways, glycogen metabolism, serine/threonine kinase, transferase
Biological source	Cricetulus griseus (Chinese hamster)
Total number of polymer chains	1
Total formula weight	41492.19
Authors	Oebbeke, M.,Siefker, C.,Heine, A.,Klebe, G. (deposition date: 2019-09-02, release date: 2020-09-30, Last modification date: 2024-01-24)
Primary citation	Oebbeke, M.,Siefker, C.,Wagner, B.,Heine, A.,Klebe, G. Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60:252-258, 2021 Cited by PubMed: 33021032 DOI: 10.1002/anie.202011295 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.37 Å)

Structure validation