MolNFT v1 · #138009 · protein
TBK1 co-crystal structure with amlexanox
5W5V · SERINE/THREONINE-protein kinase TBK1: “TBK1 co-crystal structure with amlexanox”. X-ray diffraction, 1 ligand (ANW), 8 pockets (best druggability 0.71). MolNFT v1 #138009 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5W5V
- Type
- protein
- Length
- 599 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
- ANW
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase TBK1 (EC 2.7.11.1) | protein | 599 | 53% helix, 14% strand | Q9UHD2 |
Ligands and binding sites
- ANW · 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[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
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 534 | 0.71 | 0.80 | 53 | empty |
| 2 | 145 | 0.54 | 0.80 | 19 | empty |
| 3 | 171 | 0.52 | 0.78 | 22 | ANW |
| 4 | 108 | 0.51 | 0.82 | 20 | empty |
| 5 | 245 | 0.48 | 0.73 | 27 | 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 5W5V · PDBe 5W5V · UniProt Q9UHD2
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