3KCK

A Novel Chemotype of Kinase Inhibitors

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	313	36782.8	1	UniProt (O60674) Pfam (PF07714)	Homo sapiens (human)	Janus kinase 2, JAK-2
2	B (A)	3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol	non-polymer		345.8	1	Chemie (3KC)
3	C (A)	water	water		18.0	98	Chemie (HOH)

Sequence modifications

A: 842 - 1132 (UniProt: O60674)

PDB	External Database	Details
Met 820	-	expression tag
Gly 821	-	expression tag
Ser 822	-	expression tag
Ser 823	-	expression tag
His 824	-	expression tag
His 825	-	expression tag
His 826	-	expression tag
His 827	-	expression tag
His 828	-	expression tag
His 829	-	expression tag
Ser 830	-	expression tag
Ser 831	-	expression tag
Gly 832	-	expression tag
Leu 833	-	expression tag
Val 834	-	expression tag
Pro 835	-	expression tag
Arg 836	-	expression tag
Gly 837	-	expression tag
Ser 838	-	expression tag
His 839	-	expression tag
Asn 840	-	expression tag
Met 841	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	36782.8
Non-Polymers*	Number of molecules	1
	Total formula weight	345.8
All*	Total formula weight	37128.6

*Water molecules are not included.