5TOZ

JAK3 with covalent inhibitor PF-06651600

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 JAK3	polymer	321	36543.7	1	UniProt (P52333) Pfam (PF07714) In PDB	Homo sapiens (Human)	Janus kinase 3,JAK-3,Leukocyte janus kinase,L-JAK
2	A	1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one	non-polymer		287.4	1	Chemie (7H4)
3	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4		water	water		18.0	232	Chemie (HOH)

Sequence modifications

A: 812 - 1124 (UniProt: P52333)

PDB	External Database	Details
Met 804	-	initiating methionine
Gly 805	-	expression tag
His 806	-	expression tag
His 807	-	expression tag
His 808	-	expression tag
His 809	-	expression tag
His 810	-	expression tag
His 811	-	expression tag
Ser 1048	Cys 1048	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	36543.7
Non-Polymers*	Number of molecules	2
	Total formula weight	383.4
All*	Total formula weight	36927.1

*Water molecules are not included.