› 4aoj

X-ray diffraction
2.75Å resolution

Human TrkA in complex with the inhibitor AZ-23

Released:
DOI: 10.2210/pdb4aoj/pdb
PDB entry 4aoj coloured by chain, front view.
PDB entry 4aoj coloured by chain, side view.
PDB entry 4aoj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of Disubstituted Imidazo[4,5-b]pyridines and Purines as Potent TrkA Inhibitors.
Wang T, Lamb ML, Block MH, Davies AM, Han Y, Hoffmann E, Ioannidis S, Josey JA, Liu ZY, Lyne PD, MacIntyre T, Mohr PJ, Omer CA, Sjögren T, Thress K, Wang B, Wang H, Yu D, Zhang HJ
ACS Med Chem Lett 3 705-9 (2012)
PMID: 24900538

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:
homo dodecamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138091 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
High affinity nerve growth factor receptor Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 329 amino acids
Theoretical weight: 36.9 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P04629 (Residues: 473-796; Coverage: 42%)
Gene names: MTC, NTRK1, TRK, TRKA
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand V4Z 3 x V4Z
Ligand ZN 6 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: I222
Unit cell:
a: 130.727Å b: 158.419Å c: 152.577Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.221 0.22 0.242
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Evaluation of Substituted Pyrazole-Based Kinase Inhibitors in One Decade (2011-2020): Current Status and Future Prospects.
El-Gamal et al. (2022)
2 more

20 mentions without citation

Synthetic Heterocyclic Derivatives as Kinase Inhibitors Tested for the Treatment of Neuroblastoma.
Musumeci et al. (2021)
19 more