6BKW

BTK complex with compound 12

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 BTK	polymer	287	33878.7	1	UniProt (Q06187) Pfam (PF07714)	Homo sapiens (Human)	Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase
2	B, C, D (A)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
3	E (A)	N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide	non-polymer		510.6	1	Chemie (DXM)
4	F (A)	triphenylphosphane	non-polymer		262.3	1	Chemie (FPZ)
5	G, H (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	I (A)	water	water		18.0	203	Chemie (HOH)

Sequence modifications

A: 393 - 657 (UniProt: Q06187)

PDB	External Database	Details
Met 392	-	initiating methionine
Asn 658	-	expression tag
Leu 659	-	expression tag
Tyr 660	-	expression tag
Phe 661	-	expression tag
Gln 662	-	expression tag
Gly 663	-	expression tag
Glu 664	-	expression tag
Glu 665	-	expression tag
Tyr 666	-	expression tag
Met 667	-	expression tag
Pro 668	-	expression tag
Thr 669	-	expression tag
Glu 670	-	expression tag
His 671	-	expression tag
His 672	-	expression tag
His 673	-	expression tag
His 674	-	expression tag
His 675	-	expression tag
His 676	-	expression tag
His 677	-	expression tag
His 678	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33878.7
Non-Polymers*	Number of molecules	7
	Total formula weight	1245.2
All*	Total formula weight	35123.9

*Water molecules are not included.