› 7n9g

X-ray diffraction
2.2Å resolution

Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib

Released:
DOI: 10.2210/pdb7n9g/pdb
PDB entry 7n9g coloured by chain, front view.
PDB entry 7n9g coloured by chain, side view.
PDB entry 7n9g coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Imatinib can act as an Allosteric Activator of Abl Kinase.
Xie T, Saleh T, Rossi P, Miller D, Kalodimos CG
J Mol Biol 434 167349 (2022)
PMID: 34774565

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
Molecule details ›
Chains: A, B, C
Length: 271 amino acids
Theoretical weight: 31.49 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00519 (Residues: 229-499; Coverage: 24%)
Gene names: ABL, ABL1, JTK7
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

3 bound ligands:
Ligand STI 3 x STI
Ligand 1N1 3 x 1N1
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: I222
Unit cell:
a: 69.933Å b: 166.879Å c: 186.817Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.219 0.217 0.251
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Allostery: Allosteric Cancer Drivers and Innovative Allosteric Drugs.
Nussinov et al. (2022)
3 other articles

2 mentions without citation

Imatinib can act as an Allosteric Activator of Abl Kinase.
Xie et al. (2022)
1 more