MolNFT v1 · #144252 · protein
TBK1 in complex with tetrazole analog of amlexanox
6BNY · SERINE/THREONINE-protein kinase TBK1: “TBK1 in complex with tetrazole analog of amlexanox”. X-ray diffraction, 1 ligand (E0M), 8 pockets (best druggability 0.71). MolNFT v1 #144252 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6BNY
- Type
- protein
- Length
- 609 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
- E0M
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase TBK1 (EC 2.7.11.1) | protein | 609 | 51% helix, 13% strand | Q9UHD2 |
Ligands and binding sites
- E0M · 2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one · 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 | 492 | 0.71 | 0.81 | 49 | empty |
| 2 | 262 | 0.60 | 0.79 | 28 | E0M |
| 3 | 127 | 0.55 | 0.82 | 26 | empty |
| 4 | 362 | 0.55 | 0.74 | 46 | empty |
| 5 | 84 | 0.45 | 0.81 | 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 Q9UHD2
- Elsewhere: RCSB PDB 6BNY · PDBe 6BNY · UniProt Q9UHD2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.