7TEU

Crystal structure of JAK2 JH1 with type II inhibitor YLIU-04-105-1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Tyrosine-protein kinase JAK2	polymer	317	37090.3	1	UniProt (O60674) Pfam (PF07714) In PDB	Homo sapiens (human)	Janus kinase 2,JAK-2
2	A	3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide	non-polymer		605.7	1	Chemie (I6C)
3	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4		water	water		18.0	200	Chemie (HOH)

Sequence modifications

A: 837 - 1132 (UniProt: O60674)

PDB	External Database	Details
Met 816	-	initiating methionine
Gly 817	-	expression tag
Ser 818	-	expression tag
Ser 819	-	expression tag
His 820	-	expression tag
His 821	-	expression tag
His 822	-	expression tag
His 823	-	expression tag
His 824	-	expression tag
His 825	-	expression tag
Ser 826	-	expression tag
Ser 827	-	expression tag
Gly 828	-	expression tag
Leu 829	-	expression tag
Val 830	-	expression tag
Pro 831	-	expression tag
Arg 832	-	expression tag
Gly 833	-	expression tag
Ser 834	-	expression tag
His 835	-	expression tag
Met 836	-	expression tag
Phe 1007	Tyr 1007	engineered mutation
Phe 1008	Tyr 1008	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37090.3
Non-Polymers*	Number of molecules	2
	Total formula weight	697.7
All*	Total formula weight	37788.1

*Water molecules are not included.