3Q32

Structure of Janus kinase 2 with a pyrrolotriazine inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Tyrosine-protein kinase JAK2	polymer	301	35695.6	2	UniProt (O60674) Pfam (PF07714)	Homo sapiens (human)	Janus kinase 2, JAK-2
2	C, D (A, B)	2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone	non-polymer		482.5	2	Chemie (J2I)
3	E, F (A, B)	water	water		18.0	90	Chemie (HOH)

Sequence modifications

A, B: 839 - 1132 (UniProt: O60674)

PDB	External Database	Details
Met 838	-	initiating methionine
His 1133	-	expression tag
His 1134	-	expression tag
His 1135	-	expression tag
His 1136	-	expression tag
His 1137	-	expression tag
His 1138	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71391.2
Non-Polymers*	Number of molecules	2
	Total formula weight	965.0
All*	Total formula weight	72356.2

*Water molecules are not included.