5CF5

CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-7-[(DIMETHYL-1,3-THIAZOL-2-YL)AMINO]-10-ETHYL-3-METHYL-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 (A, B)	Tyrosine-protein kinase JAK2	polymer	321	37867.0	2	UniProt (O60674) Pfam (PF07714)	Homo sapiens (Human)	Janus kinase 2,JAK-2
2	C, D (A, B)	N,N-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide	non-polymer		449.6	2	Chemie (50W)
3	E, F (A, B)	water	water		18.0	238	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	899.1
All*	Total formula weight	76633.1

*Water molecules are not included.