› 6jwl

X-ray diffraction
2.55Å resolution

Crystal structure of EGFR 696-1022 L858R in complex with AZD9291

Released:
DOI: 10.2210/pdb6jwl/pdb
PDB entry 6jwl coloured by chain, front view.
PDB entry 6jwl coloured by chain, side view.
PDB entry 6jwl 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: 37.66 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 YY3 1 x YY3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: I23
Unit cell:
a: 143.518Å b: 143.518Å c: 143.518Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.207 0.242
Expression system: Spodoptera frugiperda

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Citations

8 review citations

Globally Approved EGFR Inhibitors: Insights into Their Syntheses, Target Kinases, Biological Activities, Receptor Interactions, and Metabolism.
Abourehab et al. (2021)
7 more

6 mentions without citation

Expanding Chemical Probe Space: Quality Criteria for Covalent and Degrader Probes.
Hartung et al. (2023)
5 more