4V0G

JAK3 in complex with a covalent EGFR inhibitor

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 JAK3	polymer	283	32343.9	1	UniProt (P52333) Pfam (PF07714)	HOMO SAPIENS (HUMAN)	JANUS KINASE 3, JAK-3, LEUKOCYTE JANUS KINASE, L-JAK, JANUS KINASE 3
2	B (B)	TYROSINE-PROTEIN KINASE JAK3	polymer	283	32327.8	1	UniProt (P52333) Pfam (PF07714)	HOMO SAPIENS (HUMAN)	JANUS KINASE 3, JAK-3, LEUKOCYTE JANUS KINASE, L-JAK, JANUS KINASE 3
3	C, D (A, B)	N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide	non-polymer		521.6	2	Chemie (G9B)
4	E, F (A, B)	water	water		18.0	12	Chemie (HOH)

Sequence modifications

A: 816 - 1098 (UniProt: P52333)

PDB	External Database	Details
Glu 895	Arg 895	conflict
Pro 896	Gln 896	conflict
Ser 1048	Cys 1048	conflict

B: 816 - 1098 (UniProt: P52333)

PDB	External Database	Details
Gly 894	Arg 895	conflict
Glu 895	Gln 896	conflict
Gly 1039	Cys 1040	conflict
Ser 1048	Cys 1048	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	64671.7
Non-Polymers*	Number of molecules	2
	Total formula weight	1043.2
All*	Total formula weight	65715.0

*Water molecules are not included.