› 3pix

X-ray diffraction
1.85Å resolution

Crystal structure of BTK kinase domain complexed with 2-Isopropyl-7-(4-methyl-piperazin-1-yl)-4-(5-methyl-2H-pyrazol-3-ylamino)-2H-phthalazin-1-one

Released:
DOI: 10.2210/pdb3pix/pdb
PDB entry 3pix coloured by chain, front view.
PDB entry 3pix coloured by chain, side view.
PDB entry 3pix coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Kuglstatter A, Wong A, Tsing S, Lee SW, Lou Y, Villaseñor AG, Bradshaw JM, Shaw D, Barnett JW, Browner MF
Protein Sci 20 428-36 (2011)
PMID: 21280133

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: 274 amino acids
Theoretical weight: 31.83 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q06187 (Residues: 387-659; Coverage: 41%)
Gene names: AGMX1, ATK, BPK, BTK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 027 1 x 027
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P21212
Unit cell:
a: 70.028Å b: 104.43Å c: 37.953Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.229 0.227 0.266
Expression system: Spodoptera frugiperda

Quick links

Citations

5 review citations

Bruton tyrosine kinase (BTK) and its role in B-cell malignancy.
Buggy et al. (2012)
4 more

4 mentions without citation

Bruton's Tyrosine Kinase Targeting in Multiple Myeloma.
Von Suskil et al. (2021)
3 more