9T21

Crystal Structure of 29 bound to the ph domain of Btk

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, C, G, J)	Tyrosine-protein kinase BTK	polymer	169	19966.9	4	UniProt (Q06187) Pfam (PF00169) Pfam (PF00779)	Homo sapiens (human)	Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase
2	E, G, J, N (A, C, G, J)	(6~{S})-6-thiophen-2-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid	non-polymer		248.3	4	Chemie (A1JS7)
3	F, I, L, O (A, C, G, J)	ZINC ION	non-polymer		65.4	4	Chemie (ZN) PubChem (32051)
4	H, K, M (C, G)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG) PubChem (888)
5	P, Q, R, S (A, C, G, J)	water	water		18.0	403	Chemie (HOH)

Sequence modifications

A, C, G, J: 2 - 170 (UniProt: Q06187)

PDB	External Database	Details
Ser 145	Cys 179	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	79867.8
Non-Polymers*	Number of molecules	11
	Total formula weight	1327.7
All*	Total formula weight	81195.5

*Water molecules are not included.