› 6bod

X-ray diffraction
3.2Å resolution

TBK1 in complex with ethyl ester analog of amlexanox

Released:
DOI: 10.2210/pdb6bod/pdb
PDB entry 6bod coloured by chain, front view.
PDB entry 6bod coloured by chain, side view.
PDB entry 6bod coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKε and Reveal Mechanisms for Selective Inhibition.
Beyett TS, Gan X, Reilly SM, Chang L, Gomez AV, Saltiel AR, Showalter HD, Tesmer JJG
Mol Pharmacol 94 1210-1219 (2018)
PMID: 30082428

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-193742 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase TBK1 Chain: A
Molecule details ›
Chain: A
Length: 660 amino acids
Theoretical weight: 76.03 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9UHD2 (Residues: 1-657; Coverage: 90%)
Gene names: NAK, TBK1
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand E0P 1 x E0P
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P3221
Unit cell:
a: 134.314Å b: 134.314Å c: 85.275Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.228 0.223 0.271
Expression system: Spodoptera frugiperda

Quick links

Citations

12 review citations

Small molecules targeting the innate immune cGAS‒STING‒TBK1 signaling pathway.
Ding et al. (2020)
11 more

1 mention without citation

Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKε and Reveal Mechanisms for Selective Inhibition.
Beyett et al. (2018)