8FE5

Structure of J-PKAc chimera complexed with Aplithianine B

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, B)	DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha	polymer	405	47591.9	2	UniProt (P25685) UniProt (P17612) Pfam (PF00226) Pfam (PF00069)	Homo sapiens (human)	DnaJ protein homolog 1,Heat shock 40 kDa protein 1,Heat shock protein 40,Human DnaJ protein 1,hDj-1,PKA C-alpha
2	B, D (I, J)	cAMP-dependent protein kinase inhibitor alpha	polymer	20	2226.4	2	UniProt (P61925)	Homo sapiens	PKI-alpha,cAMP-dependent protein kinase inhibitor,muscle/brain isoform
3	E, F (A, B)	6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one	non-polymer		315.4	2	Chemie (XTT)
4	G, H (A, B)	water	water		18.0	17	Chemie (HOH)

Sequence modifications

A, B: 1 - 69 (UniProt: P25685)
A, B: 70 - 405 (UniProt: P17612)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	99636.7
Non-Polymers*	Number of molecules	2
	Total formula weight	630.7
All*	Total formula weight	100267.4

*Water molecules are not included.