3JYA

Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors

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	294	33963.5	1	UniProt (P11309) Pfam (PF00069) In PDB	Homo sapiens (human)
2	A	6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one	non-polymer		271.1	1	Chemie (LWG)

Sequence modifications

A: 29 - 313 (UniProt: P11309)

PDB	External Database	Details
Met 28	-	initiating methionine
Val 314	-	expression tag
Asp 315	-	expression tag
His 316	-	expression tag
His 317	-	expression tag
His 318	-	expression tag
His 319	-	expression tag
His 320	-	expression tag
His 321	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33963.5
Non-Polymers*	Number of molecules	1
	Total formula weight	271.1
All*	Total formula weight	34234.6

*Water molecules are not included.