› 4y85

X-ray diffraction
2.33Å resolution

Crystal structure of COT kinase domain in complex with 5-(5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine

Released:
DOI: 10.2210/pdb4y85/pdb
PDB entry 4y85 coloured by chain, front view.
PDB entry 4y85 coloured by chain, side view.
PDB entry 4y85 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold.
Gutmann S, Hinniger A, Fendrich G, Drückes P, Antz S, Mattes H, Möbitz H, Ofner S, Schmiedeberg N, Stojanovic A, Rieffel S, Strauss A, Troxler T, Glatthar R, Sparrer H
J Biol Chem 290 15210-8 (2015)
PMID: 25918157

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-154375 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase kinase kinase 8 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 332 amino acids
Theoretical weight: 37.64 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P41279 (Residues: 66-395; Coverage: 71%)
Gene names: COT, ESTF, MAP3K8
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 499 3 x 499
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: C2
Unit cell:
a: 147.978Å b: 85.113Å c: 85.964Å
α: 90° β: 91.06° γ: 90°
R-values:
R R work R free
0.179 0.177 0.207
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

Biophysics: for HTS hit validation, chemical lead optimization, and beyond.
Genick et al. (2017)
3 more

3 mentions without citation

The multifaceted allosteric regulation of Aurora kinase A.
Levinson NM. (2018)
2 more