4E6Q

JAK2 kinase (JH1 domain) triple mutant in complex with compound 12

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	298	35225.1	2	UniProt (O60674) Pfam (PF07714)	Homo sapiens (human)	Janus kinase 2, JAK-2
2	C, D (A, B)	1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine	non-polymer		331.4	2	Chemie (0NV)
3	E, F (A, B)	water	water		18.0	183	Chemie (HOH)

Sequence modifications

A, B: 835 - 1132 (UniProt: O60674)

PDB	External Database	Details
Arg 853	Gln 853	engineered mutation
Phe 931	Tyr 931	engineered mutation
Glu 939	Asp 939	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70450.2
Non-Polymers*	Number of molecules	2
	Total formula weight	662.8
All*	Total formula weight	71113.0

*Water molecules are not included.