Research workbench
TBK1 in complex with cyclohexyl analog of amlexanox
Analyse TBK1 in complex with cyclohexyl analog of amlexanox in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6CQ4
- Type
- protein
- Length
- 604 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase TBK1
- EC
- 2.7.11.1
- UniProt
- Q9UHD2
- Ligands
- F8P
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase TBK1 (EC 2.7.11.1) | protein | 604 | 51% helix, 15% strand | Q9UHD2 |
Ligands and binding sites
- F8P · 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 551 | 0.71 | 0.80 | 57 | empty |
| 2 | 246 | 0.57 | 0.78 | 30 | F8P |
| 3 | 377 | 0.55 | 0.74 | 42 | empty |
| 4 | 98 | 0.46 | 0.79 | 17 | empty |
| 5 | 97 | 0.42 | 0.77 | 24 | empty |
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9UHD2
- Elsewhere: RCSB PDB 6CQ4 · PDBe 6CQ4 · UniProt Q9UHD2
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