3IO7

2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Tyrosine-protein kinase JAK2	polymer	313	36782.8	1	UniProt (O60674) Pfam (PF07714) In PDB	Homo sapiens (human)	Janus kinase 2, JAK-2
2	A	(3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide	non-polymer		394.5	1	Chemie (1P5)
3		water	water		18.0	36	Chemie (HOH)

Sequence modifications

A: 842 - 1132 (UniProt: O60674)

PDB	External Database	Details
Met 820	-	expression tag
Gly 821	-	expression tag
Ser 822	-	expression tag
Ser 823	-	expression tag
His 824	-	expression tag
His 825	-	expression tag
His 826	-	expression tag
His 827	-	expression tag
His 828	-	expression tag
His 829	-	expression tag
Ser 830	-	expression tag
Ser 831	-	expression tag
Gly 832	-	expression tag
Leu 833	-	expression tag
Val 834	-	expression tag
Pro 835	-	expression tag
Arg 836	-	expression tag
Gly 837	-	expression tag
Ser 838	-	expression tag
His 839	-	expression tag
Asn 840	-	expression tag
Met 841	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	36782.8
Non-Polymers*	Number of molecules	1
	Total formula weight	394.5
All*	Total formula weight	37177.3

*Water molecules are not included.