› 3pyy

X-ray diffraction
1.85Å resolution

Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site

Released:
DOI: 10.2210/pdb3pyy/pdb
PDB entry 3pyy coloured by chain, front view.
PDB entry 3pyy coloured by chain, side view.
PDB entry 3pyy coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and characterization of a cell-permeable, small-molecule c-Abl kinase activator that binds to the myristoyl binding site.
Yang J, Campobasso N, Biju MP, Fisher K, Pan XQ, Cottom J, Galbraith S, Ho T, Zhang H, Hong X, Ward P, Hofmann G, Siegfried B, Zappacosta F, Washio Y, Cao P, Qu J, Bertrand S, Wang DY, Head MS, Li H, Moores S, Lai Z, Johanson K, Burton G, Erickson-Miller C, Simpson G, Tummino P, Copeland RA, Oliff A
Chem Biol 18 177-86 (2011)
PMID: 21338916

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
Molecule details ›
Chains: A, B
Length: 298 amino acids
Theoretical weight: 34.71 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00519 (Residues: 229-512; Coverage: 25%)
Gene names: ABL, ABL1, JTK7
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand SO4 3 x SO4
Ligand STI 2 x STI
Ligand 3YY 2 x 3YY
Ligand 2PE 1 x 2PE
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P212121
Unit cell:
a: 74.391Å b: 95.432Å c: 115.502Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.189 0.204
Expression system: Spodoptera frugiperda

Quick links

Citations

8 review citations

Targeting protein lipidation in disease.
Resh MD. (2012)
7 more

19 mentions without citation

Therapeutic Targeting the Allosteric Cysteinome of RAS and Kinase Families.
Li et al. (2022)
18 more