4ALW

Benzofuropyrimidinone Inhibitors of Pim-1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	PIM-1 KINASE	polymer	328	37557.7	1	UniProt (P11309) Pfam (PF00069) In PDB	HOMO SAPIENS (HUMAN)
2	A	IMIDAZOLE	non-polymer		69.1	2	Chemie (IMD)
3	A	8-BROMANYL-2-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE	non-polymer		377.2	1	Chemie (HY7)
4		water	water		18.0	337	Chemie (HOH)

Sequence modifications

A: 2 - 313 (UniProt: P11309)

PDB	External Database	Details
Met -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Gly -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37557.7
Non-Polymers*	Number of molecules	3
	Total formula weight	515.4
All*	Total formula weight	38073.1

*Water molecules are not included.