› 7jxp

X-ray diffraction
2.16Å resolution

EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-04-125-02

Released:
DOI: 10.2210/pdb7jxp/pdb
PDB entry 7jxp coloured by chain, front view.
PDB entry 7jxp coloured by chain, side view.
PDB entry 7jxp 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, Janne PA, Eck MJ
Nat Commun 13 2530- (2022)

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132701 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Epidermal growth factor receptor Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
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

4 bound ligands:
Ligand ANP 4 x ANP
Ligand MG 4 x MG
Ligand JBJ 6 x JBJ
Ligand YY3 2 x YY3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P1
Unit cell:
a: 57.113Å b: 94.741Å c: 95.569Å
α: 70.56° β: 78.4° γ: 79.18°
R-values:
R R work R free
0.214 0.212 0.247
Expression system: Spodoptera frugiperda

Quick links