› 5wr7

X-ray diffraction
2.76Å resolution

Crystal structure of Trk-A complexed with a selective inhibitor CH7057288

Released:
DOI: 10.2210/pdb5wr7/pdb
PDB entry 5wr7 coloured by chain, front view.
PDB entry 5wr7 coloured by chain, side view.
PDB entry 5wr7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Selective TRK Inhibitor CH7057288 against TRK Fusion-Driven Cancer.
Tanaka H, Sase H, Tsukaguchi T, Hasegawa M, Tanimura H, Yoshida M, Sakata K, Fujii T, Tachibana Y, Takanashi K, Higashida A, Hasegawa K, Ono Y, Oikawa N, Mio T
Mol Cancer Ther 17 2519-2529 (2018)
PMID: 30242093

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: 304 amino acids
Theoretical weight: 34.75 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P04629 (Residues: 489-792; Coverage: 40%)
Gene names: MTC, NTRK1, TRK, TRKA
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand RCH 1 x RCH
1 modified residue:
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08ID-1
Spacegroup: R32
Unit cell:
a: 104.262Å b: 104.262Å c: 203.609Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.208 0.206 0.234
Expression system: Spodoptera frugiperda

Quick links

Citations

2 citation in other articles

Anti-Tumor Activity of AZD4547 Against NTRK1 Fusion Positive Cancer Cells Through Inhibition of NTRKs.
Cho et al. (2021)
1 more

2 mentions without citation

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