2C1B

Structure of cAMP-dependent protein kinase complexed with (4R,2S)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	CAMP-DEPENDENT PROTEIN KINASE	polymer	351	40837.6	1	UniProt (P00517) Pfam (PF00069)	BOS TAURUS	PROTEIN KINASE A, ALPHA-CATALYTIC SUBUNIT, PKA C-ALPHA
2	B (I)	CAMP-DEPENDENT PROTEIN KINASE INHIBITOR	polymer	20	2226.4	1	UniProt (P61925)	HOMO SAPIENS	ALPHA FORM, PKI-ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, MUSCLE/BRAIN ISOFORM
3	C (A)	(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE	non-polymer		431.9	1	Chemie (CQP)
4	D, E (A, I)	water	water		18.0	448	Chemie (HOH)

Sequence modifications

A: 0 - 0 (PDB: 2C1B)
A: 1 - 350 (UniProt: P00517)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	43064.0
Non-Polymers*	Number of molecules	1
	Total formula weight	431.9
All*	Total formula weight	43496.0

*Water molecules are not included.