› 3w33

X-ray diffraction
1.7Å resolution

EGFR kinase domain complexed with compound 19b

Released:
DOI: 10.2210/pdb3w33/pdb
PDB entry 3w33 coloured by chain, front view.
PDB entry 3w33 coloured by chain, side view.
PDB entry 3w33 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors.
Kawakita Y, Seto M, Ohashi T, Tamura T, Yusa T, Miki H, Iwata H, Kamiguchi H, Tanaka T, Sogabe S, Ohta Y, Ishikawa T
Bioorg Med Chem 21 2250-2261 (2013)
PMID: 23490150

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: 330 amino acids
Theoretical weight: 37.56 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 W19 1 x W19
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P212121
Unit cell:
a: 46.878Å b: 69.175Å c: 104.424Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.197 0.233
Expression system: Spodoptera frugiperda

Quick links

Citations

2 review citations

Small molecule tyrosine kinase inhibitors of ErbB2/HER2/Neu in the treatment of aggressive breast cancer.
Schroeder et al. (2014)
1 more

12 mentions without citation

Bioactive pyrrole-based compounds with target selectivity.
Li Petri et al. (2020)
11 more