MolNFT v1 · #95300 · protein
Structure of tank-binding kinase 1
4IM2 · SERINE/THREONINE-protein kinase TBK1: “Structure of tank-binding kinase 1”. X-ray diffraction, 2 ligands (BX7, CL), 4 pockets (best druggability 0.68). MolNFT v1 #95300 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4IM2
- Type
- protein
- Length
- 618 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
- BX7, CL
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase TBK1 (EC 2.7.11.1) | protein | 618 | 52% helix, 15% strand | Q9UHD2 |
Ligands and binding sites
- BX7 · N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl) amino]propyl}amino)pyrimidin-2-yl]amino}phenyl) pyrrolidine-1-carboxamide · ligand · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 492 | 0.68 | 0.79 | 51 | empty |
| 2 | 376 | 0.66 | 0.80 | 45 | BX7, CL |
| 3 | 337 | 0.54 | 0.74 | 43 | empty |
| 4 | 51 | 0.31 | 0.76 | 13 | 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 4IM2 · PDBe 4IM2 · UniProt Q9UHD2
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