Brand  (β version)

PDB ID: 5VGO

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Ligands
Code Name Style Show Link
9B1 2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2h-cyclopenta[4,5]thieno[2,3-C]pyridin-1(5h)-one PoSSuM
GOL Glycerol PoSSuM
PG0 2-(2-methoxyethoxy)ethanol PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 5VGO   PDBj   RCSB PDB   PDBe
Header : Transferase/Transferase Inhibitor
Title : Bruton'S tyrosine kinase (BTK) with compound G-744
Release Data : 2017-07-05
Compound :
mol_id molecule chains synonym
1 Tyrosine-protein kinase BTK A Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase
ec: 2.7.10.2
fragment: UNP residues 427-691
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: BTK, AGMX1, ATK, BPK
Authors : Yu, C., Eigenbrot, C.
Keywords : protein kinase, inhibitor, Transferase-Transferase Inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.621 Å )
Citation :

Discovery of Potent and Selective Tricyclic Inhibitors of Bruton's Tyrosine Kinase with Improved Druglike Properties.

Wang, X.,Barbosa, J.,Blomgren, P.  et al.
(2017)  ACS Med Chem Lett  8 : 608 - 613

PubMed: 28626519
DOI: 10.1021/acsmedchemlett.7b00103

Reaction

Chain : A
UniProt : Q06187 (BTK_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H(+) 2.7.10.2 PROSITE-ProRule:PRU10028, PubMed:11606584, PubMed:34554188
-
Cofactor: Evidence: Note:
Zn(2+) ECO:0000269 | PubMed:10196129
ECO:0000269 | PubMed:9218782
ECO:0000269 | Ref.50
Binds 1 zinc ion per subunit.