3UIX

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	Proto-oncogene serine/threonine-protein kinase pim-1	polymer	298	34187.7	1	UniProt (P11309) Pfam (PF00069) In PDB	Homo sapiens
2	A	2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol	non-polymer		294.4	1	Chemie (Q17)
3	A	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
6	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
7		water	water		18.0	241	Chemie (HOH)

Sequence modifications

A: 29 - 313 (UniProt: P11309)

PDB	External Database	Details
Met 28	-	expression tag
Ser 314	-	expression tag
Gly 315	-	expression tag
Pro 316	-	expression tag
Ser 317	-	expression tag
Ser 318	-	expression tag
Gly 319	-	expression tag
Glu 320	-	expression tag
Asn 321	-	expression tag
Leu 322	-	expression tag
Tyr 323	-	expression tag
Phe 324	-	expression tag
Gln 325	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34187.7
Non-Polymers*	Number of molecules	6
	Total formula weight	593.5
All*	Total formula weight	34781.2

*Water molecules are not included.