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Crystal structure of mouse TBK1 bound to SU6668
Analyse Crystal structure of mouse TBK1 bound to SU6668 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JLC
- Type
- protein
- Length
- 646 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
- Q9WUN2
- Ligands
- SU6
- Pockets
- 9 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase TBK1 (EC 2.7.11.1) | protein | 646 | 52% helix, 13% strand | Q9WUN2 |
Ligands and binding sites
- SU6 · 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 555 | 0.73 | 0.81 | 55 | SU6 |
| 2 | 429 | 0.69 | 0.80 | 45 | empty |
| 3 | 294 | 0.51 | 0.74 | 41 | empty |
| 4 | 174 | 0.47 | 0.75 | 21 | empty |
| 5 | 90 | 0.40 | 0.77 | 17 | 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 Q9WUN2
- Elsewhere: RCSB PDB 4JLC · PDBe 4JLC · UniProt Q9WUN2
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