10PJ

JAK2 kinase (JH1 domain) in complex with povorcitinib

This is a non-PDB format compatible entry.

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	316	37268.3	2	UniProt (O60674)	Homo sapiens (human)	Janus kinase 2,JAK-2
2	C (A)	MALONIC ACID	non-polymer		104.1	1	Chemie (MLA) PubChem (867)
3	D, E (A, B)	4-{3-(cyanomethyl)-3-[(4M)-3',5'-dimethyl-1H,1'H-[4,4'-bipyrazol]-1-yl]azetidin-1-yl}-2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide	non-polymer		507.5	2	Chemie (A1C68)
4	F, G (A, B)	water	water		18.0	676	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	74536.6
Non-Polymers*	Number of molecules	3
	Total formula weight	1119.0
All*	Total formula weight	75655.5

*Water molecules are not included.