› 3i81

X-ray diffraction
2.08Å resolution

Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide]

Released:
DOI: 10.2210/pdb3i81/pdb
PDB entry 3i81 coloured by chain, front view.
PDB entry 3i81 coloured by chain, side view.
PDB entry 3i81 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development.
Wittman MD, Carboni JM, Yang Z, Lee FY, Antman M, Attar R, Balimane P, Chang C, Chen C, Discenza L, Frennesson D, Gottardis MM, Greer A, Hurlburt W, Johnson W, Langley DR, Li A, Li J, Liu P, Mastalerz H, Mathur A, Menard K, Patel K, Sack J, Sang X, Saulnier M, Smith D, Stefanski K, Trainor G, Velaparthi U, Zhang G, Zimmermann K, Vyas DM
J Med Chem 52 7360-3 (2009)
PMID: 19778024

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 Chain: A
Molecule details ›
Chain: A
Length: 315 amino acids
Theoretical weight: 35.91 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P08069 (Residues: 982-1286; Coverage: 23%)
Gene name: IGF1R
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand EBI 1 x EBI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: C2
Unit cell:
a: 107.366Å b: 41.097Å c: 78.816Å
α: 90° β: 120.57° γ: 90°
R-values:
R R work R free
0.221 0.221 0.265
Expression system: Spodoptera frugiperda

Quick links

Citations

6 review citations

Insulin receptor (IR) and insulin-like growth factor receptor 1 (IGF-1R) signaling systems: novel treatment strategies for cancer.
Singh et al. (2014)
5 more

10 mentions without citation

The Exploration of Chirality for Improved Druggability within the Human Kinome.
Saha et al. (2020)
9 more