› 5j9y

X-ray diffraction
2.8Å resolution

EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b

Released:
DOI: 10.2210/pdb5j9y/pdb
PDB entry 5j9y coloured by chain, front view.
PDB entry 5j9y coloured by chain, side view.
PDB entry 5j9y coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR.
Engel J, Becker C, Lategahn J, Keul M, Ketzer J, Mühlenberg T, Kollipara L, Schultz-Fademrecht C, Zahedi RP, Bauer S, Rauh D
Angew Chem Int Ed Engl 55 10909-12 (2016)
PMID: 27496389

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: 323 amino acids
Theoretical weight: 36.96 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00533 (Residues: 697-1019; Coverage: 27%)
Gene names: EGFR, ERBB, ERBB1, HER1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 6HL 1 x 6HL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: I23
Unit cell:
a: 144.39Å b: 144.39Å c: 144.39Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.183 0.238
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

Advances of small molecule targeting of kinases.
Berndt et al. (2017)
3 more

4 mentions without citation

Molecular Docking Optimization in the Context of Multi-Drug Resistant and Sensitive EGFR Mutants.
García-Godoy et al. (2016)
3 more