› 4btm

X-ray diffraction
2.54Å resolution

TTBK1 in complex with inhibitor

Released:
DOI: 10.2210/pdb4btm/pdb
PDB entry 4btm coloured by chain, front view.
PDB entry 4btm coloured by chain, side view.
PDB entry 4btm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
X-ray structural analysis of tau-tubulin kinase 1 and its interactions with small molecular inhibitors.
Xue Y, Wan PT, Hillertz P, Schweikart F, Zhao Y, Wissler L, Dekker N
ChemMedChem 8 1846-54 (2013)
PMID: 24039150

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-178328 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tau-tubulin kinase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 337 amino acids
Theoretical weight: 38.75 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q5TCY1 (Residues: 1-313; Coverage: 24%)
Gene names: BDTK, KIAA1855, TTBK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand SO4 4 x SO4
Ligand F8E 2 x F8E
Ligand DMS 1 x DMS
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2
Unit cell:
a: 127.59Å b: 108.42Å c: 110.76Å
α: 90° β: 94.14° γ: 90°
R-values:
R R work R free
0.179 0.177 0.208
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

Tau-tubulin kinase.
Ikezu et al. (2014)
3 more

1 mention without citation

Identification of human tau-tubulin kinase 1 inhibitors: an integrated e-pharmacophore-based virtual screening and molecular dynamics simulation.
Jana et al. (2020)