› 4o6l

X-ray diffraction
2.38Å resolution

Crystal Structure of TTK kinase domain with an inhibitor: 401498 (N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide)

Released:
DOI: 10.2210/pdb4o6l/pdb
PDB entry 4o6l coloured by chain, front view.
PDB entry 4o6l coloured by chain, side view.
PDB entry 4o6l coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Qiu W, Plotnikova O, Feher M, Awrey DE, 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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 281 amino acids
Theoretical weight: 32.7 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

2 bound ligands:
Ligand 2QK 2 x 2QK
Ligand GOL 2 x GOL
2 modified residues:
Ligand TPO 4 x TPO
Ligand SEP 2 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: C2
Unit cell:
a: 153.232Å b: 70.26Å c: 106.889Å
α: 90° β: 133.14° γ: 90°
R-values:
R R work R free
0.211 0.21 0.25
Expression system: Escherichia coli

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