› 7zyq

X-ray diffraction
2.1Å resolution

Crystal Structure of EGFR-T790M/V948R in Complex with Reversible Aminopyrimidine 13

Released:
DOI: 10.2210/pdb7zyq/pdb
Model geometry
Fit model/data
PDB entry 7zyq coloured by chain, front view.
PDB entry 7zyq coloured by chain, side view.
PDB entry 7zyq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Grabe T, Jeyakumar K, Niggenaber J, Schulz T, Koska S, Kleinbölting S, Beck ME, Müller MP, Rauh D
ACS Med Chem Lett 14 591-598 (2023)
PMID: 37197473

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

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
Molecule details ›
Chains: A, B
Length: 333 amino acids
Theoretical weight: 37.96 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 V58 2 x V58
Ligand SO4 4 x SO4
Ligand CL 2 x CL
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 75.89Å b: 79.59Å c: 89.57Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.198 0.223
Expression system: Spodoptera frugiperda

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