› 4i24

X-ray diffraction
1.8Å resolution

Structure of T790M EGFR kinase domain co-crystallized with dacomitinib

Released:
DOI: 10.2210/pdb4i24/pdb
PDB entry 4i24 coloured by chain, front view.
PDB entry 4i24 coloured by chain, side view.
PDB entry 4i24 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Insights into the aberrant activity of mutant EGFR kinase domain and drug recognition.
Gajiwala KS, Feng J, Ferre R, Ryan K, Brodsky O, Weinrich S, Kath JC, Stewart A
Structure 21 209-19 (2013)
PMID: 23273428

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

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-132671 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Epidermal growth factor receptor Chains: A, B
Molecule details ›
Chains: A, B
Length: 329 amino acids
Theoretical weight: 37.48 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00533 (Residues: 695-1022; Coverage: 28%)
Gene names: EGFR, ERBB, ERBB1, HER1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 1C9 2 x 1C9
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P1
Unit cell:
a: 35.848Å b: 76.385Å c: 77.961Å
α: 67.17° β: 80.53° γ: 85.67°
R-values:
R R work R free
0.21 0.209 0.239
Expression system: Spodoptera frugiperda

Quick links

Citations

15 review citations

FDA-approved small-molecule kinase inhibitors.
Wu et al. (2015)
14 more

22 mentions without citation

Covalent inhibitors: a rational approach to drug discovery.
Sutanto et al. (2020)
21 more