› 5hhw

X-ray diffraction
1.79Å resolution

Crystal structure of insulin receptor kinase domain in complex with cis-(R)-7-(3-(azetidin-1-ylmethyl)cyclobutyl)-5-(3-((tetrahydro-2H-pyran-2-yl)methoxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Released:
DOI: 10.2210/pdb5hhw/pdb
PDB entry 5hhw coloured by chain, front view.
PDB entry 5hhw coloured by chain, side view.
PDB entry 5hhw 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-138931 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Insulin receptor subunit beta Chain: A
Molecule details ›
Chain: A
Length: 307 amino acids
Theoretical weight: 34.94 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P06213 (Residues: 1005-1310; Coverage: 23%)
Gene name: INSR
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 60O 1 x 60O
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 57.92Å b: 69.16Å c: 89.86Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.171 0.198
Expression system: Spodoptera frugiperda

Quick links

Citations

2 review citations

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)
1 more

3 mentions without citation

In-silico elucidation of Moringa oleifera phytochemicals against diabetes mellitus.
Zainab et al. (2020)
2 more