› 4g5p

X-ray diffraction
3.17Å resolution

Crystal structure of EGFR kinase T790M in complex with BIBW2992

Released:
DOI: 10.2210/pdb4g5p/pdb
PDB entry 4g5p coloured by chain, front view.
PDB entry 4g5p coloured by chain, side view.
PDB entry 4g5p coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Target binding properties and cellular activity of afatinib (BIBW 2992), an irreversible ErbB family blocker.
Solca F, Dahl G, Zoephel A, Bader G, Sanderson M, Klein C, Kraemer O, Himmelsbach F, Haaksma E, Adolf GR
J Pharmacol Exp Ther 343 342-50 (2012)
PMID: 22888144

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

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-132671 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Epidermal growth factor receptor Chains: A, B
Molecule details ›
Chains: A, B
Length: 330 amino acids
Theoretical weight: 37.61 KDa
Source organism: Homo sapiens
Expression system: Not provided
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

1 bound ligand:
Ligand 0WN 1 x 0WN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 51.23Å b: 89.43Å c: 164.68Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.247 0.244 0.323
Expression system: Not provided

Quick links

Citations

151 review citations

The ErbB/HER family of protein-tyrosine kinases and cancer.
Roskoski R. (2014)
150 more

22 mentions without citation

The Exploration of Chirality for Improved Druggability within the Human Kinome.
Saha et al. (2020)
21 more