› 4fny

X-ray diffraction
2.45Å resolution

Crystal structure of the R1275Q anaplastic lymphoma kinase catalytic domain in complex with a benzoxazole inhibitor

Released:
DOI: 10.2210/pdb4fny/pdb
PDB entry 4fny coloured by chain, front view.
PDB entry 4fny coloured by chain, side view.
PDB entry 4fny coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The R1275Q neuroblastoma mutant and certain ATP-competitive inhibitors stabilize alternative activation loop conformations of anaplastic lymphoma kinase.
Epstein LF, Chen H, Emkey R, Whittington DA
J Biol Chem 287 37447-57 (2012)
PMID: 22932897

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-193961 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
ALK tyrosine kinase receptor Chain: A
Molecule details ›
Chain: A
Length: 327 amino acids
Theoretical weight: 36.8 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9UM73 (Residues: 1084-1410; Coverage: 20%)
Gene name: ALK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand I3K 1 x I3K
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 52.454Å b: 56.492Å c: 102.06Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.191 0.252
Expression system: Spodoptera frugiperda

Quick links

Citations

6 review citations

Mechanistic insight into ALK receptor tyrosine kinase in human cancer biology.
Hallberg et al. (2013)
5 more

5 mentions without citation

ALK and ROS1 as a joint target for the treatment of lung cancer: a review.
Puig de la Bellacasa et al. (2013)
4 more