› 2f4j

X-ray diffraction
1.91Å resolution

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

Released:
DOI: 10.2210/pdb2f4j/pdb
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
Primary publication:
Structure of the kinase domain of an imatinib-resistant Abl mutant in complex with the Aurora kinase inhibitor VX-680.
Young MA, Shah NP, Chao LH, Seeliger M, Milanov ZV, Biggs WH, Treiber DK, Patel HK, Zarrinkar PP, Lockhart DJ, Sawyers CL, Kuriyan J
Cancer Res 66 1007-14 (2006)
PMID: 16424036

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 Chain: A
Molecule details ›
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
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand VX6 1 x VX6
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: P21
Unit cell:
a: 44.768Å b: 59.417Å c: 66.896Å
α: 90° β: 98.42° γ: 90°
R-values:
R R work R free
0.207 0.207 0.239
Expression system: Escherichia coli

Quick links

Citations

49 review citations

Targeting cancer with small molecule kinase inhibitors.
Zhang et al. (2009)
48 more

35 mentions without citation

Catalytic control in the EGF receptor and its connection to general kinase regulatory mechanisms.
Jura et al. (2011)
34 more