8BM2

Crystal structure of JAK2 JH1 in complex with gandotinib

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	317	37325.3	2	UniProt (O60674) Pfam (PF07714) In PDB	Homo sapiens (human)	Janus kinase 2,JAK-2
2	A, B	3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine	non-polymer		469.9	2	Chemie (QQC)
3		water	water		18.0	513	Chemie (HOH)

Sequence modifications

A, B: 840 - 1132 (UniProt: O60674)

PDB	External Database	Details
Met 816	-	initiating methionine
Gly 817	-	expression tag
His 818	-	expression tag
His 819	-	expression tag
His 820	-	expression tag
His 821	-	expression tag
His 822	-	expression tag
His 823	-	expression tag
Ser 824	-	expression tag
Ser 825	-	expression tag
Gly 826	-	expression tag
Val 827	-	expression tag
Asp 828	-	expression tag
Leu 829	-	expression tag
Gly 830	-	expression tag
Thr 831	-	expression tag
Glu 832	-	expression tag
Asn 833	-	expression tag
Leu 834	-	expression tag
Tyr 835	-	expression tag
Phe 836	-	expression tag
Gln 837	-	expression tag
Ser 838	-	expression tag
Met 839	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	74650.7
Non-Polymers*	Number of molecules	2
	Total formula weight	939.9
All*	Total formula weight	75590.6

*Water molecules are not included.