› 2hyy

X-ray diffraction
2.4Å resolution

Human Abl kinase domain in complex with imatinib (STI571, Glivec)

Released:
DOI: 10.2210/pdb2hyy/pdb
PDB entry 2hyy coloured by chain, front view.
PDB entry 2hyy coloured by chain, side view.
PDB entry 2hyy coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
Cowan-Jacob SW, Fendrich G, Floersheimer A, Furet P, Liebetanz J, Rummel G, Rheinberger P, Centeleghe M, Fabbro D, Manley PW
Acta Crystallogr D Biol Crystallogr 63 80-93 (2007)
PMID: 17164530

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 analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132602 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase ABL1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 273 amino acids
Theoretical weight: 31.68 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00519 (Residues: 228-500; Coverage: 24%)
Gene names: ABL, ABL1, JTK7
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand STI 4 x STI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE BW7B
Spacegroup: C2221
Unit cell:
a: 141.679Å b: 148.575Å c: 115.217Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.204 0.267
Expression system: Spodoptera frugiperda

Quick links

Citations

16 review citations

Developing irreversible inhibitors of the protein kinase cysteinome.
Liu et al. (2013)
15 more

73 mentions without citation

Rational, biologically based treatment of EGFR-mutant non-small-cell lung cancer.
Pao et al. (2010)
72 more