› 9cd5

X-ray diffraction
2.94Å resolution

FGFR1 Kinase Domain Soak with Inhibitor TYRA-300

Released:
DOI: 10.2210/pdb9cd5/pdb
Model geometry
Fit model/data
PDB entry 9cd5 coloured by chain, front view.
PDB entry 9cd5 coloured by chain, side view.
PDB entry 9cd5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of TYRA-300: First Oral Selective FGFR3 Inhibitor for the Treatment of Urothelial Cancers and Achondroplasia.
Hudkins RL, Allen E, Balcer A, Hoffman ID, Iyer S, Neal M, Nelson KJ, Rideout M, Ye Q, Starrett JH, Patel P, Harris T, Swanson RV, Bensen DC
J Med Chem (2024)
PMID: 39258897

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: 308 amino acids
Theoretical weight: 35.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11362 (Residues: 458-765; Coverage: 39%)
Gene names: BFGFR, CEK, FGFBR, FGFR1, FLG, FLT2, HBGFR
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

3 bound ligands:
Ligand EDO 3 x EDO
Ligand A1AV2 2 x A1AV2
Ligand SO4 13 x SO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: C2
Unit cell:
a: 206.03Å b: 57.614Å c: 65.694Å
α: 90° β: 107.185° γ: 90°
R-values:
R R work R free
0.215 0.213 0.263
Expression system: Escherichia coli

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