› 6iuo

X-ray diffraction
2.3Å resolution

Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor

Released:
DOI: 10.2210/pdb6iuo/pdb
PDB entry 6iuo coloured by chain, front view.
PDB entry 6iuo coloured by chain, side view.
PDB entry 6iuo coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
Wang Y, Dai Y, Wu X, Li F, Liu B, Li C, Liu Q, Zhou Y, Wang B, Zhu M, Cui R, Tan X, Xiong Z, Liu J, Tan M, Xu Y, Geng M, Jiang H, Liu H, Ai J, Zheng M
J Med Chem 62 7473-7488 (2019)
PMID: 31335138

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149636 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fibroblast growth factor receptor 4 Chain: A
Molecule details ›
Chain: A
Length: 322 amino acids
Theoretical weight: 35.96 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P22455 (Residues: 445-753; Coverage: 40%)
Gene names: FGFR4, JTK2, TKF
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: R3
Unit cell:
a: 138.716Å b: 138.716Å c: 49.814Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.188 0.186 0.232
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Signaling Pathway and Small-Molecule Drug Discovery of FGFR: A Comprehensive Review.
Zheng et al. (2022)
2 more