Brand  (β version)

PDB ID: 5VFI

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Ligands
Code Name Style Show Link
9AJ 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2s)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2h-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6h)-one PoSSuM
EDO 1,2-ethanediol PoSSuM
SO4 Sulfate ion PoSSuM
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Structure summary

Code : 5VFI   PDBj   RCSB PDB   PDBe
Header : Transferase/Transferase Inhibitor
Title : Bruton'S tyrosine kinase (BTK) with GDC-0853
Release Data : 2018-02-28
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 423-693
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera  (taxid:7106)
gene: BTK, AGMX1, ATK, BPK
Authors : Steinbacher, S., Eigenbrot, C.
Keywords : protein kinase inhibitor, Transferase-Transferase Inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.59 Å )
Citation :

Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton's Tyrosine Kinase Inhibitor in Early Clinical Development.

Crawford, J.J.,Johnson, A.R.,Misner, D.L.  et al.
(2018)  J. Med. Chem.  61 : 2227 - 2245

PubMed: 29457982
DOI: 10.1021/acs.jmedchem.7b01712

Reaction

Chain : A
UniProt : Q06187 (BTK_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-tyrosyl-[protein] = ADP + H(+) + O-phospho-L-tyrosyl- [protein] 2.7.10.2 PROSITE-ProRule:PRU10028, PubMed:11606584, PubMed:34554188
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