5O13

Crystal structure of PIM1 kinase in complex with small-molecule 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	298	34473.9	1	UniProt (P11309) Pfam (PF00069) In PDB	Homo sapiens (Human)
2	A	(3~{E})-5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1~{H}-indol-2-one	non-polymer		461.9	1	Chemie (9G5)
3	A	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
4	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5		water	water		18.0	90	Chemie (HOH)

Sequence modifications

A: 29 - 313 (UniProt: P11309)

PDB	External Database	Details
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
His 21	-	expression tag
Ser 22	-	expression tag
Gln 23	-	expression tag
Asp 24	-	expression tag
Pro 25	-	expression tag
Asn 26	-	expression tag
Ser 27	-	expression tag
Met 28	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34473.9
Non-Polymers*	Number of molecules	3
	Total formula weight	566.5
All*	Total formula weight	35040.4

*Water molecules are not included.