› 3ik3

X-ray diffraction
1.9Å resolution

AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance

Released:
DOI: 10.2210/pdb3ik3/pdb
PDB entry 3ik3 coloured by chain, front view.
PDB entry 3ik3 coloured by chain, side view.
PDB entry 3ik3 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance.
O'Hare T, Shakespeare WC, Zhu X, Eide CA, Rivera VM, Wang F, Adrian LT, Zhou T, Huang WS, Xu Q, Metcalf CA, Tyner JW, Loriaux MM, Corbin AS, Wardwell S, Ning Y, Keats JA, Wang Y, Sundaramoorthi R, Thomas M, Zhou D, Snodgrass J, Commodore L, Sawyer TK, Dalgarno DC, Deininger MW, Druker BJ, Clackson T
Cancer Cell 16 401-12 (2009)
PMID: 19878872

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: 288 amino acids
Theoretical weight: 33.25 KDa
Source organism: Mus musculus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00520 (Residues: 229-513; Coverage: 25%)
Gene names: Abl, Abl1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 0LI 2 x 0LI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P21
Unit cell:
a: 43.907Å b: 131.453Å c: 60.2Å
α: 90° β: 92.87° γ: 90°
R-values:
R R work R free
0.216 0.216 0.258
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

233 review citations

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

21 mentions without citation

Resistant mutations in CML and Ph(+)ALL - role of ponatinib.
Miller et al. (2014)
20 more