› 5uwd

X-ray diffraction
3.06Å resolution

Crystal structure of EGFR kinase domain (L858R, T790M, V948R) in complex with the covalent inhibitor CO-1686

Released:
DOI: 10.2210/pdb5uwd/pdb
PDB entry 5uwd coloured by chain, front view.
PDB entry 5uwd coloured by chain, side view.
PDB entry 5uwd coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Proteome-wide Map of Targets of T790M-EGFR-Directed Covalent Inhibitors.
Niessen S, Dix MM, Barbas S, Potter ZE, Lu S, Brodsky O, Planken S, Behenna D, Almaden C, Gajiwala KS, Ryan K, Ferre R, Lazear MR, Hayward MM, Kath JC, Cravatt BF
Cell Chem Biol 24 1388-1400.e7 (2017)
PMID: 28965727

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: 329 amino acids
Theoretical weight: 37.58 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

1 bound ligand:
Ligand 8OV 1 x 8OV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P6122
Unit cell:
a: 78.926Å b: 78.926Å c: 215.596Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.216 0.213 0.28
Expression system: Spodoptera frugiperda

Quick links

Citations

6 review citations

Click Chemistry in Proteomic Investigations.
Parker et al. (2020)
5 more

2 mentions without citation

Proteome-wide Map of Targets of T790M-EGFR-Directed Covalent Inhibitors.
Niessen et al. (2017)
1 more