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	Tyrosine-protein kinase JAK2	polymer	313	36782.8	1	UniProt (O60674) Pfam (PF07714) In PDB	Homo sapiens (human)	Janus kinase 2, JAK-2
2	A	3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol	non-polymer		345.8	1	Chemie (3KC)
3		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.