› 5hcz

X-ray diffraction
2.62Å resolution

EGFR kinase domain mutant "TMLR" with 3-azetidinyl azaindazole compound 21

Released:
DOI: 10.2210/pdb5hcz/pdb
PDB entry 5hcz coloured by chain, front view.
PDB entry 5hcz coloured by chain, side view.
PDB entry 5hcz coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor.
Chan BK, Hanan EJ, Bowman KK, Bryan MC, Burdick D, Chan E, Chen Y, Clausen S, Dela Vega T, Dotson J, Eigenbrot C, Elliott RL, Heald RA, Jackson PS, Knight JD, La H, Lainchbury MD, Malek S, Purkey HE, Schaefer G, Schmidt S, Seward EM, Sideris S, Shao L, Wang S, Yeap SK, Yen I, Yu C, Heffron TP
J Med Chem 59 9080-9093 (2016)
PMID: 27564586

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: 37.55 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 SO4 1 x SO4
Ligand 60E 1 x 60E
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: I23
Unit cell:
a: 146.449Å b: 146.449Å c: 146.449Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.194 0.227
Expression system: Spodoptera frugiperda

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Citations

1 review citation

Targeting EGFRL858R/T790M and EGFRL858R/T790M/C797S resistance mutations in NSCLC: Current developments in medicinal chemistry.
Lu et al. (2018)
3 other articles