PDBe 3ocs

X-ray diffraction
1.8Å resolution

Crystal structure of bruton's tyrosine kinase in complex with inhibitor CGI1746

Released:
Source organism: Homo sapiens
Entry authors: Davies DR, Gallion SL, Staker BL

Function and Biology Details

Reaction catalysed:
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate. 
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase BTK Chain: A
Molecule details ›
Chain: A
Length: 271 amino acids
Theoretical weight: 31.7 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q06187 (Residues: 393-656; Coverage: 40%)
Gene names: AGMX1, ATK, BPK, BTK
Sequence domains: Protein tyrosine kinase
Structure domains:

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL1-5
Spacegroup: P61
Unit cell:
a: 108.386Å b: 108.386Å c: 41.974Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.184 0.183 0.213
Expression system: Spodoptera frugiperda