3BGQ

Human Pim-1 kinase in complex with an triazolo pyridazine inhibitor VX2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Proto-oncogene serine/threonine-protein kinase Pim-1	polymer	333	37984.1	1	UniProt (P11309) Pfam (PF00069)	Homo sapiens (human)
2	B (A)	N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine	non-polymer		361.4	1	Chemie (VX2)
3	C (A)	water	water		18.0	112	Chemie (HOH)

Sequence modifications

A: 1 - 313 (UniProt: P11309)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37984.1
Non-Polymers*	Number of molecules	1
	Total formula weight	361.4
All*	Total formula weight	38345.4

*Water molecules are not included.