› 6jx0

X-ray diffraction
2.53Å resolution

Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by co-crystallization

Released:
DOI: 10.2210/pdb6jx0/pdb
PDB entry 6jx0 coloured by chain, front view.
PDB entry 6jx0 coloured by chain, side view.
PDB entry 6jx0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural Basis of AZD9291 Selectivity for EGFR T790M.
Yan XE, Ayaz P, Zhu SJ, Zhao P, Liang L, Zhang CH, Wu YC, Li JL, Choi HG, Huang X, Shan Y, Shaw DE, Yun CH
J Med Chem 63 8502-8511 (2020)
PMID: 32672461

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: 37.65 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

2 bound ligands:
Ligand YY3 3 x YY3
Ligand CL 3 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P3121
Unit cell:
a: 94.464Å b: 94.464Å c: 125.95Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.193 0.192 0.222
Expression system: Spodoptera frugiperda

Quick links

Citations

5 review citations

Acquired resistance to third-generation EGFR-TKIs and emerging next-generation EGFR inhibitors.
Du et al. (2021)
4 more

10 mentions without citation

A structural perspective on targeting the RTK/Ras/MAP kinase pathway in cancer.
Heppner et al. (2021)
9 more