8B8U

Crystal structure of JAK2 JH2-V617F in complex with HTS-A3

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	289	33169.0	2	UniProt (O60674) Pfam (PF07714)	Homo sapiens (human)	Janus kinase 2,JAK-2
2	C, E, F, G, I (A, B)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
3	D, H (A, B)	3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one	non-polymer		355.3	2	Chemie (T7I)
4	J, K (A, B)	water	water		18.0	422	Chemie (HOH)

Sequence modifications

A, B: 536 - 812 (UniProt: O60674)

PDB	External Database	Details
Phe 617	Val 617	variant
Ala 659	Trp 659	engineered mutation
Ala 777	Trp 777	engineered mutation
His 794	Phe 794	engineered mutation
Leu 813	-	expression tag
Val 814	-	expression tag
Pro 815	-	expression tag
Arg 816	-	expression tag
Gly 817	-	expression tag
Ser 818	-	expression tag
His 819	-	expression tag
His 820	-	expression tag
His 821	-	expression tag
His 822	-	expression tag
His 823	-	expression tag
His 824	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66338.0
Non-Polymers*	Number of molecules	7
	Total formula weight	1171.1
All*	Total formula weight	67509.1

*Water molecules are not included.