› 4j8m

X-ray diffraction
1.85Å resolution

Aurora A in complex with CD532

Released:
DOI: 10.2210/pdb4j8m/pdb
PDB entry 4j8m coloured by chain, front view.
PDB entry 4j8m coloured by chain, side view.
PDB entry 4j8m coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Drugging MYCN through an allosteric transition in Aurora kinase A.
Gustafson WC, Meyerowitz JG, Nekritz EA, Chen J, Benes C, Charron E, Simonds EF, Seeger R, Matthay KK, Hertz NT, Eilers M, Shokat KM, Weiss WA
Cancer Cell 26 414-427 (2014)
PMID: 25175806

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-127232 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aurora kinase A Chain: A
Molecule details ›
Chain: A
Length: 279 amino acids
Theoretical weight: 32.48 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O14965 (Residues: 123-401; Coverage: 69%)
Gene names: AIK, AIRK1, ARK1, AURA, AURKA, AYK1, BTAK, IAK1, STK15, STK6
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand CJ5 1 x CJ5
Ligand MG 1 x MG
Ligand PO4 1 x PO4
Ligand DMS 2 x DMS
Ligand EDO 1 x EDO
1 modified residue:
Ligand CAF 1 x CAF

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: C2221
Unit cell:
a: 83.175Å b: 92.943Å c: 74.542Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.175 0.218
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

59 review citations

Neuroblastoma.
Matthay et al. (2016)
58 more

12 mentions without citation

The multifaceted allosteric regulation of Aurora kinase A.
Levinson NM. (2018)
11 more