› 7vkn

X-ray diffraction
2.7Å resolution

Crystal structure of TrkA (G595R) kinase with repotrectinib

Released:
DOI: 10.2210/pdb7vkn/pdb
PDB entry 7vkn coloured by chain, front view.
PDB entry 7vkn coloured by chain, side view.
PDB entry 7vkn coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Murray BW, Rogers E, Zhai D, Deng W, Chen X, Sprengeler PA, Zhang X, Graber A, Reich SH, Stopatschinskaja S, Solomon B, Besse B, Drilon A
OpenAccess logo Mol Cancer Ther 20 2446-2456 (2021)
PMID: 34625502

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-138088 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
High affinity nerve growth factor receptor Chain: A
Molecule details ›
Chain: A
Length: 326 amino acids
Theoretical weight: 37.34 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P04629 (Residues: 502-796; Coverage: 39%)
Gene names: MTC, NTRK1, TRK, TRKA
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

2 bound ligands:
Ligand 7GI 1 x 7GI
Ligand SO4 5 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL18U1
Spacegroup: R32
Unit cell:
a: 105.417Å b: 105.417Å c: 204.988Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.186 0.182 0.256
Expression system: Spodoptera frugiperda

Quick links

Citations

13 review citations

NTRK Fusion in Non-Small Cell Lung Cancer: Diagnosis, Therapy, and TRK Inhibitor Resistance.
Liu et al. (2022)
12 more

2 mentions without citation

Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Murray et al. (2021)
1 more