› 4jai

X-ray diffraction
3.2Å resolution

Crystal Structure of Aurora Kinase A in complex with N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide

Released:
DOI: 10.2210/pdb4jai/pdb
PDB entry 4jai coloured by chain, front view.
PDB entry 4jai coloured by chain, side view.
PDB entry 4jai coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors.
Karra S, Xiao Y, Chen X, Liu-Bujalski L, Huck B, Sutton A, Goutopoulos A, Askew B, Josephson K, Jiang X, Shutes A, Shankar V, Noonan T, Garcia-Berrios G, Dong R, Dhanabal M, Tian H, Wang Z, Clark A, Goodstal S
Bioorg Med Chem Lett 23 3081-7 (2013)
PMID: 23570792

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: 284 amino acids
Theoretical weight: 33.04 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O14965 (Residues: 122-396; Coverage: 68%)
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 XU2 1 x XU2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P6122
Unit cell:
a: 83.965Å b: 83.965Å c: 167.064Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.231 0.224 0.318
Expression system: Escherichia coli

Quick links

Citations

2 review citations

1,8-Naphthyridine Derivatives: A Review of Multiple Biological Activities.
Madaan et al. (2015)
1 more

2 mentions without citation

Assessing Lysine and Cysteine Reactivities for Designing Targeted Covalent Kinase Inhibitors.
Liu et al. (2019)
1 more