› 3e5a

X-ray diffraction
2.3Å resolution

Crystal structure of Aurora A in complex with VX-680 and TPX2

Released:
DOI: 10.2210/pdb3e5a/pdb
PDB entry 3e5a coloured by chain, front view.
PDB entry 3e5a coloured by chain, side view.
PDB entry 3e5a coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Modulation of kinase-inhibitor interactions by auxiliary protein binding: crystallography studies on Aurora A interactions with VX-680 and with TPX2.
Zhao B, Smallwood A, Yang J, Koretke K, Nurse K, Calamari A, Kirkpatrick RB, Lai Z
Protein Sci 17 1791-7 (2008)
PMID: 18662907

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-127236 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Aurora kinase A Chain: A
Molecule details ›
Chain: A
Length: 268 amino acids
Theoretical weight: 31.17 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: O14965 (Residues: 125-391; Coverage: 66%)
Gene names: AIK, AIRK1, ARK1, AURA, AURKA, AYK1, BTAK, IAK1, STK15, STK6
Sequence domains: Protein kinase domain
Structure domains:
Targeting protein for Xklp2 Chain: B
Molecule details ›
Chain: B
Length: 44 amino acids
Theoretical weight: 4.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q9ULW0 (Residues: 1-43; Coverage: 6%)
Gene names: C20orf1, C20orf2, DIL2, HCA519, TPX2
Sequence domains: Aurora-A binding

Ligands and Environments

2 bound ligands:
Ligand VX6 1 x VX6
Ligand SO4 1 x SO4
1 modified residue:
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: C2221
Unit cell:
a: 87.186Å b: 89.097Å c: 88.499Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.206 0.203 0.256
Expression system: Escherichia coli BL21

Quick links

Citations

6 review citations

Aurora-A kinase inhibitor scaffolds and binding modes.
Yan et al. (2011)
5 more

27 mentions without citation

Aurora A kinase (AURKA) in normal and pathological cell division.
Nikonova et al. (2013)
26 more