4WRS

Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole 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	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	A	3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole	non-polymer		433.5	1	Chemie (3U1)
4		water	water		18.0	142	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	3
	Total formula weight	617.6
All*	Total formula weight	33682.1

*Water molecules are not included.