› 2e2b

X-ray diffraction
2.2Å resolution

Crystal structure of the c-Abl kinase domain in complex with INNO-406

Released:
DOI: 10.2210/pdb2e2b/pdb
PDB entry 2e2b coloured by chain, front view.
PDB entry 2e2b coloured by chain, side view.
PDB entry 2e2b coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural factors contributing to the Abl/Lyn dual inhibitory activity of 3-substituted benzamide derivatives.
Horio T, Hamasaki T, Inoue T, Wakayama T, Itou S, Naito H, Asaki T, Hayase H, Niwa T
Bioorg Med Chem Lett 17 2712-7 (2007)
PMID: 17376680

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: 293 amino acids
Theoretical weight: 33.74 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00519 (Residues: 229-515; Coverage: 25%)
Gene names: ABL, ABL1, JTK7
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 406 2 x 406
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL32B2
Spacegroup: F222
Unit cell:
a: 110.82Å b: 147.58Å c: 152.49Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.236 0.236 0.27
Expression system: Spodoptera frugiperda

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Citations

4 review citations

Abl tyrosine kinase inhibitors for overriding Bcr-Abl/T315I: from the second to third generation.
Tanaka et al. (2008)
3 more

12 mentions without citation

Computational-experimental approach to drug-target interaction mapping: A case study on kinase inhibitors.
Cichonska et al. (2017)
11 more