7I94

Crystal Structure of 33 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, B, C, D)	Tyrosine-protein kinase BTK	polymer	169	19950.9	4	UniProt (Q06187) Pfam (PF00169) Pfam (PF00779)	Homo sapiens (human)	Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase
2	E, H, J, M (A, B, C, D)	(6S)-6-[(2S,4S)-4-bromothiolan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid	non-polymer		331.2	4	Chemie (A1B6X)
3	F, K, N (A, C, D)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG) PubChem (888)
4	G, I, L (A, B, C)	ZINC ION	non-polymer		65.4	3	Chemie (ZN) PubChem (32051)
5	O, P, Q, R (A, B, C, D)	water	water		18.0	175	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 170 (UniProt: Q06187)

PDB	External Database	Details
Ala 145	Cys 145	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	79803.8
Non-Polymers*	Number of molecules	10
	Total formula weight	1594.0
All*	Total formula weight	81397.8

*Water molecules are not included.