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Structure of the Kinase Domain of an Imatinib-Resistant Abl Mutant in Complex with the Aurora Kinase Inhibitor VX-680

X-ray diffraction
1.91Å resolution
PDB entry 2f4j coloured by chain, front view.
PDB entry 2f4j coloured by chain, side view.
PDB entry 2f4j coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Tyrosine-protein kinase ABL1
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Multimeric state: monomeric
Accessible surface area: 14924.8 Å2
Buried surface area: 894.31 Å2
Dissociation area: 447.15 Å2
Dissociation energy (ΔGdiss): -1.08 kcal/mol
Dissociation entropy (TΔSdiss): 5.26 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-132602

Macromolecules

Tyrosine-protein kinase ABL1
Chain: A
Length: 287 amino acids
Theoretical weight: 33.17 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00519 (Residues: 227-513; Coverage: 25%)
Gene names: ABL, ABL1, JTK7
Pfam: Protein tyrosine and serine/threonine kinase
InterPro:
CATH:
Tyrosine-protein kinase ABL1 in PDB entry 2f4j, assembly 1, front view.
Tyrosine-protein kinase ABL1 in PDB entry 2f4j, assembly 1, side view.
Tyrosine-protein kinase ABL1 in PDB entry 2f4j, assembly 1, top view.
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