› 4wun

X-ray diffraction
1.65Å resolution

Structure of FGFR1 in complex with AZD4547 (N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE) at 1.65 angstrom

Released:
DOI: 10.2210/pdb4wun/pdb
PDB entry 4wun coloured by chain, front view.
PDB entry 4wun coloured by chain, side view.
PDB entry 4wun coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The 1.65 Å resolution structure of the complex of AZD4547 with the kinase domain of FGFR1 displays exquisite molecular recognition.
Yosaatmadja Y, Patterson AV, Smaill JB, Squire CJ
Acta Crystallogr D Biol Crystallogr 71 525-33 (2015)
PMID: 25760602

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-145801 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fibroblast growth factor receptor 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 311 amino acids
Theoretical weight: 35.35 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11362 (Residues: 459-765; Coverage: 38%)
Gene names: BFGFR, CEK, FGFBR, FGFR1, FLG, FLT2, HBGFR
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 66T 2 x 66T
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2, RIGAKU MICROMAX-007 HF
Unit cell:
a: 65.486Å b: 50.517Å c: 201.28Å
α: 90° β: 91.23° γ: 90°
R-values:
R R work R free
0.226 0.225 0.247
Expression system: Escherichia coli

Quick links

Citations

7 citation in other articles

A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions.
Mukherjee et al. (2017)
6 more

2 mentions without citation

Discovery of Substituted 1H-Pyrazolo[3,4-b]pyridine Derivatives as Potent and Selective FGFR Kinase Inhibitors.
Zhao et al. (2016)
1 more