› 6jrj

X-ray diffraction
2.94Å resolution

The structure of co-crystals of 8r-B-EGFR T790M/C797S complex

Released:
DOI: 10.2210/pdb6jrj/pdb
PDB entry 6jrj coloured by chain, front view.
PDB entry 6jrj coloured by chain, side view.
PDB entry 6jrj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
Shen J, Zhang T, Zhu SJ, Sun M, Tong L, Lai M, Zhang R, Xu W, Wu R, Ding J, Yun CH, Xie H, Lu X, Ding K
J Med Chem 62 7302-7308 (2019)
PMID: 31298540

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 Chain: A
Molecule details ›
Chain: A
Length: 331 amino acids
Theoretical weight: 37.46 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00533 (Residues: 696-1022; Coverage: 28%)
Gene names: EGFR, ERBB, ERBB1, HER1
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

1 bound ligand:
Ligand C6O 1 x C6O
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: I23
Unit cell:
a: 148.072Å b: 148.072Å c: 148.072Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.203 0.246
Expression system: Spodoptera frugiperda

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Citations

4 review citations

Small molecules in targeted cancer therapy: advances, challenges, and future perspectives.
Zhong et al. (2021)
3 more

6 mentions without citation

A Sam68-dependent alternative splicing program shapes postsynaptic protein complexes.
Witte et al. (2019)
5 more