› 6tfw

X-ray diffraction
2Å resolution

Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18d

Released:
DOI: 10.2210/pdb6tfw/pdb
PDB entry 6tfw coloured by chain, front view.
PDB entry 6tfw coloured by chain, side view.
PDB entry 6tfw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach.
Lategahn J, Hardick J, Grabe T, Niggenaber J, Jeyakumar K, Keul M, Tumbrink HL, Becker C, Hodson L, Kirschner T, Klövekorn P, Ketzer J, Baumann M, Terheyden S, Unger A, Weisner J, Müller MP, van Otterlo WAL, Bauer S, Rauh D
J Med Chem 63 11725-11755 (2020)
PMID: 32931277

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 333 amino acids
Theoretical weight: 37.96 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

Ligands and Environments

4 bound ligands:
Ligand N7W 2 x N7W
Ligand SO4 5 x SO4
Ligand MG 2 x MG
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 76.1Å b: 81.2Å c: 90.3Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.224 0.223 0.245
Expression system: Spodoptera frugiperda

Quick links

Citations

3 citation in other articles

The miR-1185-2-3p-GOLPH3L pathway promotes glucose metabolism in breast cancer by stabilizing p53-induced SERPINE1.
Xu et al. (2021)
2 more