› 3ocs

X-ray diffraction
1.8Å resolution

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

Released:
DOI: 10.2210/pdb3ocs/pdb
PDB entry 3ocs coloured by chain, front view.
PDB entry 3ocs coloured by chain, side view.
PDB entry 3ocs coloured by chain, top view.
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
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170299 (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 and serine/threonine kinase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand SO4 3 x SO4
Ligand BME 1 x BME
Ligand 746 1 x 746
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

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