› 6d1z

X-ray diffraction
1.87Å resolution

Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one Inhibitor

Released:
DOI: 10.2210/pdb6d1z/pdb
PDB entry 6d1z coloured by chain, front view.
PDB entry 6d1z coloured by chain, side view.
PDB entry 6d1z coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
Bagal SK, Omoto K, Blakemore DC, Bungay PJ, Bilsland JG, Clarke PJ, Corbett MS, Cronin CN, Cui JJ, Dias R, Flanagan NJ, Greasley SE, Grimley R, Johnson E, Fengas D, Kitching L, Kraus ML, McAlpine I, Nagata A, Waldron GJ, Warmus JS
J Med Chem 62 247-265 (2019)
PMID: 29672039

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: 320 amino acids
Theoretical weight: 36.11 KDa
Source organism: Homo sapiens
Expression system: Insect cell expression vector pTIE1
UniProt:
  • Canonical: P04629 (Residues: 479-796; Coverage: 42%)
Gene names: MTC, NTRK1, TRK, TRKA
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand FQD 1 x FQD
Ligand GOL 1 x GOL
Ligand FQM 1 x FQM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: C2
Unit cell:
a: 113.15Å b: 45.66Å c: 78.88Å
α: 90° β: 126.88° γ: 90°
R-values:
R R work R free
0.18 0.178 0.21
Expression system: Insect cell expression vector pTIE1

Quick links

Citations

10 review citations

Trends in kinase drug discovery: targets, indications and inhibitor design.
Attwood et al. (2021)
9 more