› 3aox

X-ray diffraction
1.75Å resolution

X-ray crystal structure of human anaplastic lymphoma kinase in complex with CH5424802

Released:
DOI: 10.2210/pdb3aox/pdb
PDB entry 3aox coloured by chain, front view.
PDB entry 3aox coloured by chain, side view.
PDB entry 3aox coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
CH5424802, a selective ALK inhibitor capable of blocking the resistant gatekeeper mutant.
Sakamoto H, Tsukaguchi T, Hiroshima S, Kodama T, Kobayashi T, Fukami TA, Oikawa N, Tsukuda T, Ishii N, Aoki Y
Cancer Cell 19 679-90 (2011)
PMID: 21575866

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: 344 amino acids
Theoretical weight: 38.81 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9UM73 (Residues: 1069-1411; Coverage: 21%)
Gene name: ALK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand EMH 1 x EMH
Ligand EDO 4 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 52.063Å b: 58.1Å c: 105.739Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.169 0.206
Expression system: Spodoptera frugiperda

Quick links

Citations

176 review citations

Targeting ALK: Precision Medicine Takes on Drug Resistance.
Lin et al. (2017)
175 more

26 mentions without citation

Impact of the Protein Data Bank on antineoplastic approvals.
Westbrook et al. (2020)
25 more