› 4at3

X-ray diffraction
1.77Å resolution

CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH CPD5N

Released:
DOI: 10.2210/pdb4at3/pdb
PDB entry 4at3 coloured by chain, front view.
PDB entry 4at3 coloured by chain, side view.
PDB entry 4at3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The crystal structures of TrkA and TrkB suggest key regions for achieving selective inhibition.
Bertrand T, Kothe M, Liu J, Dupuy A, Rak A, Berne PF, Davis S, Gladysheva T, Valtre C, Crenne JY, Mathieu M
J Mol Biol 423 439-53 (2012)
PMID: 22902478

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-172527 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
BDNF/NT-3 growth factors receptor Chain: A
Molecule details ›
Chain: A
Length: 299 amino acids
Theoretical weight: 34.35 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q16620 (Residues: 527-822; Coverage: 37%)
Gene names: NTRK2, TRKB
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P21212
Unit cell:
a: 86.331Å b: 94.34Å c: 46.037Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.197 0.224
Expression system: Spodoptera frugiperda

Quick links

Citations

17 review citations

Small molecules in targeted cancer therapy: advances, challenges, and future perspectives.
Zhong et al. (2021)
16 more

8 mentions without citation

An Insight into the Medicinal Chemistry Perspective of Macrocyclic Derivatives with Antitumor Activity: A Systematic Review.
Liang et al. (2022)
7 more