9T1Z

JAK2-ruxolitinib complex with an unphosphorylated activation loop

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Tyrosine-protein kinase JAK2	polymer	316	37108.3	1	UniProt (O60674) Pfam (PF07714)	Homo sapiens (human)	Janus kinase 2,JAK-2
2	B (A)	(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile	non-polymer		306.4	1	Chemie (RXT)
3	C (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA) PubChem (923)
4	D (A)	water	water		18.0	82	Chemie (HOH)

Sequence modifications

A: 840 - 1132 (UniProt: O60674)

PDB	External Database	Details
Met 817	-	initiating methionine
His 818	-	expression tag
His 819	-	expression tag
His 820	-	expression tag
His 821	-	expression tag
His 822	-	expression tag
His 823	-	expression tag
Ser 824	-	expression tag
Ser 825	-	expression tag
Gly 826	-	expression tag
Val 827	-	expression tag
Asp 828	-	expression tag
Leu 829	-	expression tag
Gly 830	-	expression tag
Thr 831	-	expression tag
Glu 832	-	expression tag
Asn 833	-	expression tag
Leu 834	-	expression tag
Tyr 835	-	expression tag
Phe 836	-	expression tag
Gln 837	-	expression tag
Ser 838	-	expression tag
Met 839	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37108.3
Non-Polymers*	Number of molecules	2
	Total formula weight	329.4
All*	Total formula weight	37437.7

*Water molecules are not included.