› 5edr

X-ray diffraction
2.6Å resolution

EGFR kinase (T790M/L858R) with inhibitor compound 27: ~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine

Released:
DOI: 10.2210/pdb5edr/pdb
PDB entry 5edr coloured by chain, front view.
PDB entry 5edr coloured by chain, side view.
PDB entry 5edr coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
4-Aminoindazolyl-dihydrofuro[3,4-d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase.
Hanan EJ, Baumgardner M, Bryan MC, Chen Y, Eigenbrot C, Fan P, Gu XH, La H, Malek S, Purkey HE, Schaefer G, Schmidt S, Sideris S, Yen I, Yu C, Heffron TP
Bioorg Med Chem Lett 26 534-539 (2016)
PMID: 26639762

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: 331 amino acids
Theoretical weight: 37.55 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 5N4 1 x 5N4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: I23
Unit cell:
a: 148.8Å b: 148.8Å c: 148.8Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.191 0.215
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Recent Advances in the Development of Indazole-based Anticancer Agents.
Dong et al. (2018)
2 more