7RJ7

CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND 2-(1-AMINO-3-METHYLBUTYL)-6- (PYRIDIN-4-YL)QUINOLINE-4-CARBONITRILE

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	AP2-associated protein kinase 1	polymer	318	35978.2	2	UniProt (Q3UHJ0) Pfam (PF00069) In PDB	Mus musculus (Mouse)	Adaptor-associated kinase 1
2	A, B	2-[(1S)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile	non-polymer		316.4	2	Chemie (5P6)
3	B	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
4		water	water		18.0	217	Chemie (HOH)

Sequence modifications

A, B: 26 - 330 (UniProt: Q3UHJ0)

PDB	External Database	Details
Met 13	-	initiating methionine
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
Leu 20	-	expression tag
Val 21	-	expression tag
Pro 22	-	expression tag
Arg 23	-	expression tag
Gly 24	-	expression tag
Ser 25	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71956.4
Non-Polymers*	Number of molecules	8
	Total formula weight	1209.2
All*	Total formula weight	73165.6

*Water molecules are not included.