› 3gen

X-ray diffraction
1.6Å resolution

The 1.6 A crystal structure of human bruton's tyrosine kinase bound to a pyrrolopyrimidine-containing compound

Released:
DOI: 10.2210/pdb3gen/pdb
PDB entry 3gen coloured by chain, front view.
PDB entry 3gen coloured by chain, side view.
PDB entry 3gen coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structures of human Bruton's tyrosine kinase in active and inactive conformations suggest a mechanism of activation for TEC family kinases.
Marcotte DJ, Liu YT, Arduini RM, Hession CA, Miatkowski K, Wildes CP, Cullen PF, Hong V, Hopkins BT, Mertsching E, Jenkins TJ, Romanowski MJ, Baker DP, Silvian LF
Protein Sci 19 429-39 (2010)
PMID: 20052711

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: 283 amino acids
Theoretical weight: 32.68 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q06187 (Residues: 382-659; Coverage: 42%)
Gene names: AGMX1, ATK, BPK, BTK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand B43 1 x B43
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-D
Spacegroup: P21212
Unit cell:
a: 72.497Å b: 104.306Å c: 38.039Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.193 0.232
Expression system: Spodoptera frugiperda

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Citations

16 review citations

FDA-approved small-molecule kinase inhibitors.
Wu et al. (2015)
15 more

44 mentions without citation

Developing irreversible inhibitors of the protein kinase cysteinome.
Liu et al. (2013)
43 more