› 4cv9

X-ray diffraction
2.5Å resolution

MPS1 kinase with 3-aminopyridin-2-one inhibitors

Released:
DOI: 10.2210/pdb4cv9/pdb
PDB entry 4cv9 coloured by chain, front view.
PDB entry 4cv9 coloured by chain, side view.
PDB entry 4cv9 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Fearon D, Bavetsias V, Bayliss R, Schmitt J, Westwood IM, vanMontfort RLM, Jones K

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: 313 amino acids
Theoretical weight: 36.2 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P33981 (Residues: 519-808; Coverage: 34%)
Gene names: MPS1, MPS1L1, TTK
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand W2K 1 x W2K
Ligand EDO 5 x EDO
Ligand DMS 1 x DMS
1 modified residue:
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: I222
Unit cell:
a: 70.38Å b: 108.72Å c: 113.56Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.185 0.232
Expression system: Escherichia coli BL21

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