› 4cd0

X-ray diffraction
2.23Å resolution

Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2- yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propane-1,2-diol

Released:
DOI: 10.2210/pdb4cd0/pdb
PDB entry 4cd0 coloured by chain, front view.
PDB entry 4cd0 coloured by chain, side view.
PDB entry 4cd0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design of potent and selective inhibitors to overcome clinical anaplastic lymphoma kinase mutations resistant to crizotinib.
Huang Q, Johnson TW, Bailey S, Brooun A, Bunker KD, Burke BJ, Collins MR, Cook AS, Cui JJ, Dack KN, Deal JG, Deng YL, Dinh D, Engstrom LD, He M, Hoffman J, Hoffman RL, Johnson PS, Kania RS, Lam H, Lam JL, Le PT, Li Q, Lingardo L, Liu W, Lu MW, McTigue M, Palmer CL, Richardson PF, Sach NW, Shen H, Smeal T, Smith GL, Stewart AE, Timofeevski S, Tsaparikos K, Wang H, Zhu H, Zhu J, Zou HY, Edwards MP
J Med Chem 57 1170-87 (2014)
PMID: 24432909

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: 342 amino acids
Theoretical weight: 38.61 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9UM73 (Residues: 1093-1411; Coverage: 20%)
Gene name: ALK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 51.452Å b: 57.667Å c: 104.656Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.198 0.25
Expression system: Spodoptera frugiperda

Quick links

Citations

15 review citations

Nucleophosmin-anaplastic lymphoma kinase: the ultimate oncogene and therapeutic target.
Werner et al. (2017)
14 more

2 mentions without citation

The Exploration of Chirality for Improved Druggability within the Human Kinome.
Saha et al. (2020)
1 more