PDBe 6bl8

X-ray diffraction
2.5Å resolution

Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase ABL1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 272 amino acids
Theoretical weight: 31.46 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00519 (Residues: 233-504; Coverage: 24%)
Gene names: ABL, ABL1, JTK7
Sequence domains: Protein tyrosine kinase

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P21212
Unit cell:
a: 105.84Å b: 131.05Å c: 57.02Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.175 0.204
Expression system: Escherichia coli