7RJ6

CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE

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	5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine	non-polymer		448.6	1	Chemie (YFV)
3	A, B	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
4	B	(1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine	non-polymer		310.4	1	Chemie (5OI)
5		water	water		18.0	236	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	1335.4
All*	Total formula weight	73291.8

*Water molecules are not included.