8G6Z

JAK2 crystal structure in complex with Compound 13

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Tyrosine-protein kinase JAK2	polymer	318	37392.6	2	UniProt (O60674) Pfam (PF07714) In PDB	Homo sapiens (human)	Janus kinase 2,JAK-2
2	A, B	(3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile	non-polymer		376.5	2	Chemie (YSI)
3	B	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4		water	water		18.0	209	Chemie (HOH)

Sequence modifications

A, B: 837 - 1132 (UniProt: O60674)

PDB	External Database	Details
Met 815	-	expression tag
His 816	-	expression tag
His 817	-	expression tag
His 818	-	expression tag
His 819	-	expression tag
His 820	-	expression tag
His 821	-	expression tag
Thr 822	-	expression tag
Ser 823	-	expression tag
Leu 824	-	expression tag
Tyr 825	-	expression tag
Lys 826	-	expression tag
Lys 827	-	expression tag
Ala 828	-	expression tag
Gly 829	-	expression tag
Phe 830	-	expression tag
Leu 831	-	expression tag
Val 832	-	expression tag
Pro 833	-	expression tag
Arg 834	-	expression tag
Gly 835	-	expression tag
Ser 836	-	expression tag
Ser 1073	Met 1073	engineered mutation
Thr 1076	Phe 1076	engineered mutation
Gln 1129	Asn 1129	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	74785.2
Non-Polymers*	Number of molecules	3
	Total formula weight	815.0
All*	Total formula weight	75600.1

*Water molecules are not included.