› 4mkc

X-ray diffraction
2.01Å resolution

Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378

Released:
DOI: 10.2210/pdb4mkc/pdb
PDB entry 4mkc coloured by chain, front view.
PDB entry 4mkc coloured by chain, side view.
PDB entry 4mkc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The ALK inhibitor ceritinib overcomes crizotinib resistance in non-small cell lung cancer.
Friboulet L, Li N, Katayama R, Lee CC, Gainor JF, Crystal AS, Michellys PY, Awad MM, Yanagitani N, Kim S, Pferdekamper AC, Li J, Kasibhatla S, Sun F, Sun X, Hua S, McNamara P, Mahmood S, Lockerman EL, Fujita N, Nishio M, Harris JL, Shaw AT, Engelman JA
Cancer Discov 4 662-673 (2014)
PMID: 24675041

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: 367 amino acids
Theoretical weight: 41.62 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9UM73 (Residues: 1072-1410; Coverage: 21%)
Gene name: ALK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand GOL 2 x GOL
Ligand 4MK 1 x 4MK
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P212121
Unit cell:
a: 51.64Å b: 57.65Å c: 105.99Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.173 0.171 0.218
Expression system: Spodoptera frugiperda

Quick links

Citations

213 review citations

Lung cancer: current therapies and new targeted treatments.
Hirsch et al. (2017)
212 more

32 mentions without citation

Degradation of proteins by PROTACs and other strategies.
Wang et al. (2020)
31 more