9T3G

Crystal Structure of 12 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	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, L (A, B, C, D)	(6~{S})-6-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid	non-polymer		243.3	4	Chemie (A1JTA)
3	F, H, K, M (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN) PubChem (32051)
4	I (B)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG) PubChem (888)
5	N, O, P, Q (A, B, C, D)	water	water		18.0	96	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	9
	Total formula weight	1259.0
All*	Total formula weight	81126.8

*Water molecules are not included.