› 4zeg

X-ray diffraction
2.33Å resolution

Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor

Released:
DOI: 10.2210/pdb4zeg/pdb
PDB entry 4zeg coloured by chain, front view.
PDB entry 4zeg coloured by chain, side view.
PDB entry 4zeg coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Qiu W, Plotnikova O, Feher M, Awrey DE, Battaile K, Chirgadze NY

Function and Biology Details

Reaction catalysed: 
ATP + L-seryl/L-threonyl/L-tyrosyl-[protein] = ADP + O-phospho-L-seryl/O-phospho-L-threonyl/O-phospho-L-tyrosyl-[protein]
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152667 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dual specificity protein kinase TTK Chain: A
Molecule details ›
Chain: A
Length: 281 amino acids
Theoretical weight: 32.46 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P33981 (Residues: 515-795; Coverage: 33%)
Gene names: MPS1, MPS1L1, TTK
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand GOL 1 x GOL
Ligand PEG 1 x PEG
Ligand EDO 6 x EDO
Ligand 052 1 x 052
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: I222
Unit cell:
a: 70.311Å b: 106.693Å c: 111.86Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.209 0.263
Expression system: Escherichia coli

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