› 5hzn

X-ray diffraction
2.2Å resolution

Structure of NVP-AEW541 in complex with IGF-1R kinase

Released:
DOI: 10.2210/pdb5hzn/pdb
PDB entry 5hzn coloured by chain, front view.
PDB entry 5hzn coloured by chain, side view.
PDB entry 5hzn coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of a 5-[3-phenyl-(2-cyclic-ether)-methylether]-4-aminopyrrolo[2,3-d]pyrimidine series of IGF-1R inhibitors.
Stauffer F, Cowan-Jacob SW, Scheufler C, Furet P
Bioorg Med Chem Lett 26 2065-7 (2016)
PMID: 26951750

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139909 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Insulin-like growth factor 1 receptor beta chain Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 304 amino acids
Theoretical weight: 34.61 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: P08069 (Residues: 983-1286; Coverage: 23%)
Gene name: IGF1R
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 66A 8 x 66A
Ligand MES 8 x MES
Ligand SO4 4 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: C2
Unit cell:
a: 111.435Å b: 190.045Å c: 155.488Å
α: 90° β: 90.22° γ: 90°
R-values:
R R work R free
0.195 0.194 0.218
Expression system: unidentified baculovirus

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Citations

1 review citation

Clinical studies in humans targeting the various components of the IGF system show lack of efficacy in the treatment of cancer.
Philippou et al. (2017)
2 other articles

9 mentions without citation

4-Aminopyrazolopyrimidine scaffold and its deformation in the design of tyrosine and serine/threonine kinase inhibitors in medicinal chemistry.
Chen et al. (2022)
8 more