› 3v5q

X-ray diffraction
2.2Å resolution

Discovery of a selective TRK Inhibitor with efficacy in rodent cancer tumor models

Released:
DOI: 10.2210/pdb3v5q/pdb
PDB entry 3v5q coloured by chain, front view.
PDB entry 3v5q coloured by chain, side view.
PDB entry 3v5q coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models.
Albaugh P, Fan Y, Mi Y, Sun F, Adrian F, Li N, Jia Y, Sarkisova Y, Kreusch A, Hood T, Lu M, Liu G, Huang S, Liu Z, Loren J, Tuntland T, Karanewsky DS, Seidel HM, Molteni V
ACS Med Chem Lett 3 140-5 (2012)
PMID: 24900443

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-172460 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NT-3 growth factor receptor Chains: A, B
Molecule details ›
Chains: A, B
Length: 297 amino acids
Theoretical weight: 33.94 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q16288 (Residues: 530-832; Coverage: 36%)
Gene names: NTRK3, TRKC
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand CL 1 x CL
Ligand 0F4 2 x 0F4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P32
Unit cell:
a: 65.58Å b: 65.58Å c: 177.252Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.214 0.212 0.264
Expression system: Spodoptera frugiperda

Quick links

Citations

5 review citations

Applications of Palladium-Catalyzed C-N Cross-Coupling Reactions.
Ruiz-Castillo et al. (2016)
4 more

9 mentions without citation

Development of small-molecule tropomyosin receptor kinase (TRK) inhibitors for NTRK fusion cancers.
Jiang et al. (2021)
8 more