› 5one

X-ray diffraction
2.6Å resolution

Crystal structure of Aurora-A in complex with FMF-03-145-1 (compound 2)

Released:
DOI: 10.2210/pdb5one/pdb
PDB entry 5one coloured by chain, front view.
PDB entry 5one coloured by chain, side view.
PDB entry 5one coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Characterization of a highly selective inhibitor of the Aurora kinases.
Ferguson FM, Doctor ZM, Chaikuad A, Sim T, Kim ND, Knapp S, Gray NS
Bioorg Med Chem Lett 27 4405-4408 (2017)
PMID: 28818446

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: 285 amino acids
Theoretical weight: 32.95 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O14965 (Residues: 122-403; Coverage: 70%)
Gene names: AIK, AIRK1, ARK1, AURA, AURKA, AYK1, BTAK, IAK1, STK15, STK6
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 9YQ 1 x 9YQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: P3221
Unit cell:
a: 86.765Å b: 86.765Å c: 77.103Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.211 0.208 0.26
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Structural features of the protein kinase domain and targeted binding by small-molecule inhibitors.
Arter et al. (2022)
4 other articles

2 mentions without citation

PHA-680626 Is an Effective Inhibitor of the Interaction between Aurora-A and N-Myc.
Boi et al. (2021)
1 more