4Y93

Crystal structure of the PH-TH-kinase construct of Bruton's tyrosine kinase (Btk)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Non-specific protein-tyrosine kinase,Non-specific protein-tyrosine kinase	polymer	446	51892.6	1	UniProt (Q3ZC95) Pfam (PF00169) Pfam (PF00779) Pfam (PF07714) In PDB	Bos taurus (Bovine)
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide	non-polymer		579.7	1	Chemie (746)
4	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
5		water	water		18.0	518	Chemie (HOH)

Sequence modifications

A: 1 - 168 (UniProt: Q3ZC95)

PDB	External Database	Details
Gly 0	-	expression tag

A: 384 - 658 (UniProt: Q3ZC95)

PDB	External Database	Details
Ala 169	-	linker
Ala 170	-	linker
Met 542	Leu 542	engineered mutation
Thr 543	Ser 543	engineered mutation
Thr 555	Val 555	engineered mutation
Lys 562	Arg 562	engineered mutation
Ala 564	Ser 564	engineered mutation
Ser 565	Pro 565	engineered mutation
Pro 617	Tyr 617	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	51892.6
Non-Polymers*	Number of molecules	3
	Total formula weight	685.2
All*	Total formula weight	52577.8

*Water molecules are not included.