› 4ztr

X-ray diffraction
2.85Å resolution

Human Aurora A catalytic domain bound to FK1141

Released:
DOI: 10.2210/pdb4ztr/pdb
PDB entry 4ztr coloured by chain, front view.
PDB entry 4ztr coloured by chain, side view.
PDB entry 4ztr coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
Kilchmann F, Marcaida MJ, Kotak S, Schick T, Boss SD, Awale M, Gönczy P, Reymond JL
J Med Chem 59 7188-211 (2016)
PMID: 27391133

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
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 4RJ 1 x 4RJ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P6122
Unit cell:
a: 83.27Å b: 83.27Å c: 170.997Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.215 0.212 0.268
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Targeting the Small GTPase Superfamily through Their Regulatory Proteins.
Gray et al. (2020)
6 more

1 mention without citation

ReMODE: a deep learning-based web server for target-specific drug design.
Wang et al. (2022)