6AAJ

Crystal structure of JAK2 in complex with peficitinib

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	299	35138.8	2	UniProt (O60674) Pfam (PF07714)	Homo sapiens (Human)	Janus kinase 2,JAK-2
2	C, D (A, B)	4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide	non-polymer		326.4	2	Chemie (9T6)
3	E, F (A, B)	water	water		18.0	42	Chemie (HOH)

Sequence modifications

A, B: 834 - 1132 (UniProt: O60674)

PDB	External Database	Details
Ala 943	Lys 943	engineered mutation
Ala 945	Lys 945	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70277.7
Non-Polymers*	Number of molecules	2
	Total formula weight	652.8
All*	Total formula weight	70930.5

*Water molecules are not included.