4JX7

Crystal structure of Pim1 kinase in complex with inhibitor 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Serine/threonine-protein kinase pim-1	polymer	326	37293.4	1	UniProt (P11309) Pfam (PF00069)	Homo sapiens (human)	Pim1 kinase
2	B (B)	PIM1 consensus peptide	polymer	14	1592.8	1		Escherichia coli
3	C (A)	2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one	non-polymer		418.4	1	Chemie (1N6)
4	D (A)	water	water		18.0	104	Chemie (HOH)

Sequence modifications

A: 1 - 313 (UniProt: P11309)

PDB	External Database	Details
Ala 314	-	expression tag
Ala 315	-	expression tag
Ala 316	-	expression tag
Leu 317	-	expression tag
Glu 318	-	expression tag
His 319	-	expression tag
His 320	-	expression tag
His 321	-	expression tag
His 322	-	expression tag
His 323	-	expression tag
His 324	-	expression tag
His 325	-	expression tag
His 326	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	38886.3
Non-Polymers*	Number of molecules	1
	Total formula weight	418.4
All*	Total formula weight	39304.7

*Water molecules are not included.