3E8E

Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G, I... (A, B, E, I, L...)	cAMP-dependent protein kinase catalytic subunit alpha	polymer	350	40786.4	6	UniProt (P00517) Pfam (PF00069)	Bos taurus (cow)	PKA C-alpha
2	B, D, F, H, J... (G, C, F, J, N...)	PKI inhibitor peptide	polymer	20	2226.4	6	UniProt (Q3SX13)
3	M, N, O, P, Q... (A, B, E, I, L...)	4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol	non-polymer		463.5	6	Chemie (G98)
4	AA, BA, CA, DA, S... (L, N, P, Q, A...)	water	water		18.0	336	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	258076.8
Non-Polymers*	Number of molecules	6
	Total formula weight	2781.2
All*	Total formula weight	260858.0

*Water molecules are not included.