› 4at5

X-ray diffraction
1.71Å resolution

CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH GW2580

Released:
DOI: 10.2210/pdb4at5/pdb
PDB entry 4at5 coloured by chain, front view.
PDB entry 4at5 coloured by chain, side view.
PDB entry 4at5 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

2 bound ligands:
Ligand MUJ 1 x MUJ
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P21212
Unit cell:
a: 88.54Å b: 94.19Å c: 46.32Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.158 0.158 0.186
Expression system: Spodoptera frugiperda

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Citations

17 review citations

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

4 mentions without citation

Discoidin domain receptor 1 (DDR1) kinase as target for structure-based drug discovery.
Kothiwale et al. (2015)
3 more