5CF6

CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-[(2S)-2,3-DIHYDROXYPROPYL]-3-METHYL-7-(METHYLAMINO)-3,5,8,10-TETRAAZATRICYCLO [7.3.0.02,6]DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE

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	321	37867.0	2	UniProt (O60674) Pfam (PF07714) In PDB	Homo sapiens (Human)	Janus kinase 2,JAK-2
2	A, B	N,N-dicyclopropyl-6-[(2S)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide	non-polymer		398.5	2	Chemie (50O)
3		water	water		18.0	211	Chemie (HOH)

Sequence modifications

A, B: 839 - 1132 (UniProt: O60674)

PDB	External Database	Details
Met 818	-	initiating methionine
Gly 819	-	expression tag
Ser 820	-	expression tag
Ser 821	-	expression tag
His 822	-	expression tag
His 823	-	expression tag
His 824	-	expression tag
His 825	-	expression tag
His 826	-	expression tag
His 827	-	expression tag
Ser 828	-	expression tag
Ser 829	-	expression tag
Gly 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
His 837	-	expression tag
Met 838	-	expression tag
His 1133	-	expression tag
His 1134	-	expression tag
His 1135	-	expression tag
His 1136	-	expression tag
His 1137	-	expression tag
His 1138	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	75733.9
Non-Polymers*	Number of molecules	2
	Total formula weight	796.9
All*	Total formula weight	76530.9

*Water molecules are not included.