› 4ibm

X-ray diffraction
1.8Å resolution

Crystal structure of insulin receptor kinase domain in complex with an inhibitor Irfin-1

Released:
DOI: 10.2210/pdb4ibm/pdb
PDB entry 4ibm coloured by chain, front view.
PDB entry 4ibm coloured by chain, side view.
PDB entry 4ibm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A highly selective dual insulin receptor (IR)/insulin-like growth factor 1 receptor (IGF-1R) inhibitor derived from an extracellular signal-regulated kinase (ERK) inhibitor.
Anastassiadis T, Duong-Ly KC, Deacon SW, Lafontant A, Ma H, Devarajan K, Dunbrack RL, Wu J, Peterson JR
J Biol Chem 288 28068-77 (2013)
PMID: 23935097

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 306 amino acids
Theoretical weight: 34.81 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

1 bound ligand:
Ligand IR1 2 x IR1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4C
Spacegroup: P212121
Unit cell:
a: 50.838Å b: 89.21Å c: 142.193Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.182 0.218
Expression system: Spodoptera frugiperda

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Citations

2 review citations

Hyperglycaemia Induced by Novel Anticancer Agents: An Undesirable Complication or a Potential Therapeutic Opportunity?
Shah RR. (2017)
1 more

6 mentions without citation

Automated refinement of macromolecular structures at low resolution using prior information.
Kovalevskiy et al. (2016)
5 more