› 7ltx

X-ray diffraction
2.3Å resolution

EGFR (T790M/V948R) in complex with quinazolinone allosteric inhibitor

Released:
DOI: 10.2210/pdb7ltx/pdb
PDB entry 7ltx coloured by chain, front view.
PDB entry 7ltx coloured by chain, side view.
PDB entry 7ltx coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Quinazolinones as allosteric fourth-generation EGFR inhibitors for the treatment of NSCLC.
Gero TW, Heppner DE, Beyett TS, To C, Azevedo SC, Jang J, Bunnell T, Feru F, Li Z, Shin BH, Soroko KM, Gokhale PC, Gray NS, Jänne PA, Eck MJ, Scott DA
Bioorg Med Chem Lett 68 128718 (2022)
PMID: 35378251

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-132671 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Epidermal growth factor receptor Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 331 amino acids
Theoretical weight: 37.72 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

Ligands and Environments

3 bound ligands:
Ligand ANP 4 x ANP
Ligand MG 4 x MG
Ligand YFA 4 x YFA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P21
Unit cell:
a: 56.888Å b: 73.488Å c: 150.217Å
α: 90° β: 99.63° γ: 90°
R-values:
R R work R free
0.187 0.186 0.216
Expression system: Spodoptera frugiperda

Quick links

Citations

1 review citation

Targeting Epidermal Growth Factor Receptor for Cancer Treatment: Abolishing Both Kinase-Dependent and Kinase-Independent Functions of the Receptor.
Zhang Y. (2023)
1 other article

1 mention without citation

Quinazolinones as allosteric fourth-generation EGFR inhibitors for the treatment of NSCLC.
Gero et al. (2022)