› 5d41

X-ray diffraction
2.31Å resolution

EGFR kinase domain in complex with mutant selective allosteric inhibitor

Released:
DOI: 10.2210/pdb5d41/pdb
PDB entry 5d41 coloured by chain, front view.
PDB entry 5d41 coloured by chain, side view.
PDB entry 5d41 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Overcoming EGFR(T790M) and EGFR(C797S) resistance with mutant-selective allosteric inhibitors.
Jia Y, Yun CH, Park E, Ercan D, Manuia M, Juarez J, Xu C, Rhee K, Chen T, Zhang H, Palakurthi S, Jang J, Lelais G, DiDonato M, Bursulaya B, Michellys PY, Epple R, Marsilje TH, McNeill M, Lu W, Harris J, Bender S, Wong KK, Jänne PA, Eck MJ
Nature 534 129-32 (2016)
PMID: 27251290

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: 37.72 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00533 (Residues: 695-1022; Coverage: 28%)
Gene names: EGFR, ERBB, ERBB1, HER1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand MG 2 x MG
Ligand ANP 2 x ANP
Ligand 57N 1 x 57N
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-002
Spacegroup: C2
Unit cell:
a: 155.133Å b: 72.497Å c: 75.998Å
α: 90° β: 113.24° γ: 90°
R-values:
R R work R free
0.176 0.174 0.207
Expression system: Spodoptera frugiperda

Quick links

Citations

134 review citations

The biology and management of non-small cell lung cancer.
Herbst et al. (2018)
133 more

28 mentions without citation

Emerging strategies to overcome resistance to third-generation EGFR inhibitors.
Shi et al. (2022)
27 more