4ZIM

CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH A 9H-CARBAZOLE-1-CARBOXAMIDE INHIBITOR

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)	3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9H-carbazole-1-carboxamide	non-polymer		468.3	2	Chemie (4OK)
3	E, F (A, B)	water	water		18.0	262	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	936.7
All*	Total formula weight	76670.6

*Water molecules are not included.