3BGP

Human Pim-1 complexed with a benzoisoxazole inhibitor VX1

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	333	37984.1	1	UniProt (P11309) Pfam (PF00069) In PDB	Homo sapiens (human)
2	A	4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine	non-polymer		322.7	1	Chemie (VX1)
3		water	water		18.0	105	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	322.7
All*	Total formula weight	38306.8

*Water molecules are not included.