6X3N

Co-structure of BTK kinase domain with L-005085737 inhibitor

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 BTK	polymer	271	31598.3	1	UniProt (Q06187) Pfam (PF07714) In PDB	Homo sapiens (Human)	Agammaglobulinemia tyrosine kinase, ATK, B-cell progenitor kinase, BPK, Bruton tyrosine kinase
2	A	4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide	non-polymer		537.5	1	Chemie (ULV)
3	A	4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide	non-polymer		518.6	1	Chemie (5WE)
4		water	water		18.0	74	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	31598.3
Non-Polymers*	Number of molecules	2
	Total formula weight	1056.1
All*	Total formula weight	32654.4

*Water molecules are not included.