6X8E

Crystal structure of JAK2 with Compound 11

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Tyrosine-protein kinase JAK2	polymer	298	35033.7	2	UniProt (O60674) Pfam (PF07714) In PDB	Homo sapiens (Human)	Janus kinase 2,JAK-2
2	A, B	[3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile	non-polymer		441.4	2	Chemie (UWP)
3		water	water		18.0	519	Chemie (HOH)

Sequence modifications

A, B: 837 - 1132 (UniProt: O60674)

PDB	External Database	Details
Gly 835	-	expression tag
Ser 836	-	expression tag
Ser 1073	Met 1073	engineered mutation
Thr 1076	Phe 1076	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70067.4
Non-Polymers*	Number of molecules	2
	Total formula weight	882.8
All*	Total formula weight	70950.2

*Water molecules are not included.