› 4euu

X-ray diffraction
1.8Å resolution

Structure of BX-795 Complexed with Human TBK1 Kinase Domain Phosphorylated on Ser172

Released:
DOI: 10.2210/pdb4euu/pdb
PDB entry 4euu coloured by chain, front view.
PDB entry 4euu coloured by chain, side view.
PDB entry 4euu coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular basis of Tank-binding kinase 1 activation by transautophosphorylation.
Ma X, Helgason E, Phung QT, Quan CL, Iyer RS, Lee MW, Bowman KK, Starovasnik MA, Dueber EC
Proc Natl Acad Sci U S A 109 9378-83 (2012)
PMID: 22619329

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-193743 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase TBK1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 319 amino acids
Theoretical weight: 36.18 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9UHD2 (Residues: 2-308; Coverage: 42%)
Gene names: NAK, TBK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand BX7 2 x BX7
Ligand IOD 2 x IOD
Ligand SO4 3 x SO4
Ligand GOL 7 x GOL
1 modified residue:
Ligand SEP 2 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P31
Unit cell:
a: 76.095Å b: 76.095Å c: 130.945Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.17 0.169 0.194
Expression system: Spodoptera frugiperda

Quick links

Citations

30 review citations

The IκB kinase complex in NF-κB regulation and beyond.
Hinz et al. (2014)
29 more

6 mentions without citation

An inhibitor of the protein kinases TBK1 and IKK-ɛ improves obesity-related metabolic dysfunctions in mice.
Reilly et al. (2013)
5 more