› 3oy3

X-ray diffraction
1.95Å resolution

Crystal structure of ABL T315I mutant kinase domain bound with a DFG-out inhibitor AP24589

Released:
DOI: 10.2210/pdb3oy3/pdb
PDB entry 3oy3 coloured by chain, front view.
PDB entry 3oy3 coloured by chain, side view.
PDB entry 3oy3 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Structural mechanism of the Pan-BCR-ABL inhibitor ponatinib (AP24534): lessons for overcoming kinase inhibitor resistance.
Zhou T, Commodore L, Huang WS, Wang Y, Thomas M, Keats J, Xu Q, Rivera VM, Shakespeare WC, Clackson T, Dalgarno DC, Zhu X
Chem Biol Drug Des 77 1-11 (2011)
PMID: 21118377

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-132624 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase ABL1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 284 amino acids
Theoretical weight: 32.81 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00520 (Residues: 229-511; Coverage: 25%)
Gene names: Abl, Abl1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand XY3 2 x XY3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P21
Unit cell:
a: 66.471Å b: 59.988Å c: 89.439Å
α: 90° β: 97.97° γ: 90°
R-values:
R R work R free
0.22 0.22 0.266
Expression system: Escherichia coli

Quick links

Citations

47 review citations

Cancer drug resistance: an evolving paradigm.
Holohan et al. (2013)
46 more

4 mentions without citation

The N550K/H mutations in FGFR2 confer differential resistance to PD173074, dovitinib, and ponatinib ATP-competitive inhibitors.
Byron et al. (2013)
3 more