4MBL

Discovery of Pyrazolo[1,5a]pyrimidine-based Pim1 Inhibitors

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Serine/threonine-protein kinase pim-1	polymer	293	33846.3	1	UniProt (P11309) Pfam (PF00069) In PDB	Homo sapiens (human)
2	A	(1R,2R)-N-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine	non-polymer		357.5	1	Chemie (26L)

Sequence modifications

A: 29 - 313 (UniProt: P11309)

PDB	External Database	Details
Val 314	-	expression tag
Glu 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	33846.3
Non-Polymers*	Number of molecules	1
	Total formula weight	357.5
All*	Total formula weight	34203.8

*Water molecules are not included.