› 2gqg

X-ray diffraction
2.4Å resolution

X-ray Crystal Structure of Dasatinib (BMS-354825) Bound to Activated ABL Kinase Domain

Released:
DOI: 10.2210/pdb2gqg/pdb
PDB entry 2gqg coloured by chain, front view.
PDB entry 2gqg coloured by chain, side view.
PDB entry 2gqg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The structure of Dasatinib (BMS-354825) bound to activated ABL kinase domain elucidates its inhibitory activity against imatinib-resistant ABL mutants.
Tokarski JS, Newitt JA, Chang CY, Cheng JD, Wittekind M, Kiefer SE, Kish K, Lee FY, Borzillerri R, Lombardo LJ, Xie D, Zhang Y, Klei HE
Cancer Res 66 5790-7 (2006)
PMID: 16740718

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: 278 amino acids
Theoretical weight: 32.22 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00519 (Residues: 229-500; Coverage: 24%)
Gene names: ABL, ABL1, JTK7
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 1N1 2 x 1N1
Ligand GOL 1 x GOL
1 modified residue:
Ligand PTR 2 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P43212
Unit cell:
a: 105.192Å b: 105.192Å c: 111.1Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.208 0.273
Expression system: Spodoptera frugiperda

Quick links

Citations

122 review citations

Chronic myeloid leukemia: an update of concepts and management recommendations of European LeukemiaNet.
Baccarani et al. (2009)
121 more

72 mentions without citation

Structure and dynamic regulation of Abl kinases.
Panjarian et al. (2013)
71 more