5JRS

CRYSTAL STRUCTURE OF BRUTON AGAMMAGLOBULINEMIA TYROSINE KINASE COMPLEXED WITH 4-[2-FLUORO-3-(4-OXO -3,4-DIHYDROQUINAZOLIN-3-YL)PHENYL]-7-(2-HYDROXYPROPAN-2-Y L)-9H-CARBAZOLE-1-CARBOXAMIDE

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Tyrosine-protein kinase BTK	polymer	267	31203.9	2	UniProt (Q06187) Pfam (PF07714)	Homo sapiens (Human)	Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase
2	C, D (A, B)	4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide	non-polymer		506.5	2	Chemie (6MV)
3	E, F (A, B)	water	water		18.0	167	Chemie (HOH)

Sequence modifications

A, B: 396 - 659 (UniProt: Q06187)

PDB	External Database	Details
Gly 393	-	expression tag
His 394	-	expression tag
Met 395	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	62407.8
Non-Polymers*	Number of molecules	2
	Total formula weight	1013.1
All*	Total formula weight	63420.9

*Water molecules are not included.