› 5xgn

X-ray diffraction
3Å resolution

Crystal structure of EGFR 696-1022 T790M/C797S in complex with Go6976

Released:
DOI: 10.2210/pdb5xgn/pdb
PDB entry 5xgn coloured by chain, front view.
PDB entry 5xgn coloured by chain, side view.
PDB entry 5xgn coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural pharmacological studies on EGFR T790M/C797S.
Kong LL, Ma R, Yao MY, Yan XE, Zhu SJ, Zhao P, Yun CH
Biochem Biophys Res Commun 488 266-272 (2017)
PMID: 28456628

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
Molecule details ›
Chains: A, B
Length: 331 amino acids
Theoretical weight: 37.63 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
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 85X 1 x 85X
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P212121
Unit cell:
a: 49.434Å b: 90.509Å c: 164.223Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.222 0.221 0.251
Expression system: Spodoptera frugiperda

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Citations

2 review citations

[Acquired Drug Resistance Mechanism of Osimertinib in the Targeted Therapy of Non-small Cell Lung Cancer].
Zhao et al. (2020)
1 more

2 mentions without citation

Structure-Activity Relationship Studies Based on Quinazoline Derivatives as EGFR Kinase Inhibitors (2017-Present).
Șandor et al. (2023)
1 more