› 7lg8

X-ray diffraction
2.93Å resolution

EGFR (T79M/V948R) in complex with naquotinib and an allosteric inhibitor

Released:
DOI: 10.2210/pdb7lg8/pdb
Model geometry
Fit model/data
PDB entry 7lg8 coloured by chain, front view.
PDB entry 7lg8 coloured by chain, side view.
PDB entry 7lg8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors.
Beyett TS, To C, Heppner DE, Rana JK, Schmoker AM, Jang J, De Clercq DJH, Gomez G, Scott DA, Gray NS, Jänne PA, Eck MJ
OpenAccess logo Nat Commun 13 2530 (2022)
PMID: 35534503

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

2 bound ligands:
Ligand VNS 4 x VNS
Ligand 8RC 4 x 8RC
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P21
Unit cell:
a: 55.654Å b: 75.947Å c: 150.978Å
α: 90° β: 94.41° γ: 90°
R-values:
R R work R free
0.237 0.235 0.27
Expression system: Spodoptera frugiperda

Quick links

Citations

7 review citations

AlphaFold, allosteric, and orthosteric drug discovery: Ways forward.
Nussinov et al. (2023)
6 more

1 mention without citation

Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors.
Beyett et al. (2022)