2UW4

Structure of PKA-PKB chimera complexed with 2-(4-(5-methyl-1H-pyrazol- 4-yl)-phenyl)-ethylamine

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, ALPHA-CATALYTIC SUBUNIT	polymer	351	40830.6	1	UniProt (P00517) Pfam (PF00069)	BOS TAURUS (BOVINE)	PKA C-ALPHA, PROTEIN KINASE A
2	B (I)	CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA	polymer	20	2226.4	1	UniProt (P61925)	HOMO SAPIENS	PKI-ALPHA, CAMP- DEPENDENT PROTEIN KINASE INHIBITOR, MUSCLE/BRAIN ISOFORM PKI
3	C (A)	2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE	non-polymer		201.3	1	Chemie (L15)
4	D, E (A, I)	water	water		18.0	391	Chemie (HOH)

Sequence modifications

A: 0 - 0 (PDB: 2UW4)
A: 1 - 350 (UniProt: P00517)

PDB	External Database	Details
Thr 104	Val 104	engineered mutation
Ala 123	Val 123	engineered mutation
Met 173	Leu 173	engineered mutation
Lys 181	Gln 181	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	43057.0
Non-Polymers*	Number of molecules	1
	Total formula weight	201.3
All*	Total formula weight	43258.3

*Water molecules are not included.