› 3oxz

X-ray diffraction
2.2Å resolution

Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534

Released:
DOI: 10.2210/pdb3oxz/pdb
PDB entry 3oxz coloured by chain, front view.
PDB entry 3oxz coloured by chain, side view.
PDB entry 3oxz 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 Chain: A
Molecule details ›
Chain: A
Length: 284 amino acids
Theoretical weight: 32.8 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 0LI 1 x 0LI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P21
Unit cell:
a: 41.883Å b: 59.906Å c: 66.281Å
α: 90° β: 96.01° γ: 90°
R-values:
R R work R free
0.218 0.218 0.261
Expression system: Escherichia coli

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Citations

45 review citations

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

30 mentions without citation

Chronic myeloid leukemia: the paradigm of targeting oncogenic tyrosine kinase signaling and counteracting resistance for successful cancer therapy.
Soverini et al. (2018)
29 more