› 1iep

X-ray diffraction
2.1Å resolution

CRYSTAL STRUCTURE OF THE C-ABL KINASE DOMAIN IN COMPLEX WITH STI-571.

Released:
DOI: 10.2210/pdb1iep/pdb
PDB entry 1iep coloured by chain, front view.
PDB entry 1iep coloured by chain, side view.
PDB entry 1iep coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Crystal structures of the kinase domain of c-Abl in complex with the small molecule inhibitors PD173955 and imatinib (STI-571).
Nagar B, Bornmann WG, Pellicena P, Schindler T, Veach DR, Miller WT, Clarkson B, Kuriyan J
Cancer Res 62 4236-43 (2002)
PMID: 12154025

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 domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132624 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase ABL1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 293 amino acids
Theoretical weight: 33.74 KDa
Source organism: Mus musculus
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00520 (Residues: 229-515; Coverage: 26%)
Gene names: Abl, Abl1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand CL 6 x CL
Ligand STI 2 x STI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE F1
Spacegroup: F222
Unit cell:
a: 112.885Å b: 147.371Å c: 153.442Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.231 0.231 0.262
Expression system: Spodoptera frugiperda

Quick links

Citations

146 review citations

Targeting cancer with small molecule kinase inhibitors.
Zhang et al. (2009)
145 more

97 mentions without citation

Exploration of type II binding mode: A privileged approach for kinase inhibitor focused drug discovery?
Zhao et al. (2014)
96 more