5IPJ

Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolopyrrolone inhibitor.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Serine/threonine-protein kinase pim-1	polymer	286	33064.4	1	UniProt (P11309) Pfam (PF00069) In PDB	Homo sapiens (Human)
2	A	2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one	non-polymer		365.4	1	Chemie (6CD)
3	A	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
4		water	water		18.0	164	Chemie (HOH)

Sequence modifications

A: 33 - 305 (UniProt: P11309)

PDB	External Database	Details
Met 20	-	initiating methionine
Ala 21	-	expression tag
His 22	-	expression tag
His 23	-	expression tag
His 24	-	expression tag
His 25	-	expression tag
His 26	-	expression tag
His 27	-	expression tag
Asp 28	-	expression tag
Glu 29	-	expression tag
Val 30	-	expression tag
Asp 31	-	expression tag
Gly 32	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33064.4
Non-Polymers*	Number of molecules	4
	Total formula weight	641.7
All*	Total formula weight	33706.1

*Water molecules are not included.