› 7r7r

X-ray diffraction
1.94Å resolution

Structure of Human Anaplastic Lymphoma Kinase Domain in complex with ((2~{R})-2-[5-[6-amino-5-[(1~{R})-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridyl]-4-methyl-thiazol-2-yl]propane-1,2-diol)

Released:
DOI: 10.2210/pdb7r7r/pdb
Model geometry
Fit model/data
PDB entry 7r7r coloured by chain, front view.
PDB entry 7r7r coloured by chain, side view.
PDB entry 7r7r coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Analysis of lorlatinib analogs reveals a roadmap for targeting diverse compound resistance mutations in ALK-positive lung cancer.
Shiba-Ishii A, Johnson TW, Dagogo-Jack I, Mino-Kenudson M, Johnson TR, Wei P, Weinrich SL, McTigue MA, Walcott MA, Nguyen-Phuong L, Dionne K, Acker A, Kiedrowski LA, Do A, Peterson JL, Barth JL, Yeap BY, Gainor JF, Lin JJ, Yoda S, Hata AN
Nat Cancer 3 710-722 (2022)
PMID: 35726063

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: 36.91 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

Ligands and Environments

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

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 51.496Å b: 57.408Å c: 104.9Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.191 0.227
Expression system: Spodoptera frugiperda

Quick links

Citations

7 review citations

Third-generation EGFR and ALK inhibitors: mechanisms of resistance and management.
Cooper et al. (2022)
6 more

1 mention without citation

Analysis of lorlatinib analogs reveals a roadmap for targeting diverse compound resistance mutations in ALK-positive lung cancer.
Shiba-Ishii et al. (2022)