› 3gfw

X-ray diffraction
2.74Å resolution

Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrolo-pyridin ligand

Released:
DOI: 10.2210/pdb3gfw/pdb
PDB entry 3gfw coloured by chain, front view.
PDB entry 3gfw coloured by chain, side view.
PDB entry 3gfw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Kwiatkowski N, Jelluma N, Filippakopoulos P, Soundararajan M, Manak MS, Kwon M, Choi HG, Sim T, Deveraux QL, Rottmann S, Pellman D, Shah JV, Kops GJ, Knapp S, Gray NS
Nat Chem Biol 6 359-68 (2010)
PMID: 20383151

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

Ligands and Environments

2 bound ligands:
Ligand S22 1 x S22
Ligand 7PE 2 x 7PE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: I222
Unit cell:
a: 70.969Å b: 114.686Å c: 111.174Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.206 0.204 0.239
Expression system: Escherichia coli

Quick links

Citations

23 review citations

Mitotic catastrophe: a mechanism for avoiding genomic instability.
Vitale et al. (2011)
22 more

2 mentions without citation

The MPS1 family of protein kinases.
Liu et al. (2012)
1 more