MolNFT v1 · #95299 · protein
Structure of tank-binding kinase 1
4IM0 · SERINE/THREONINE-protein kinase TBK1: “Structure of tank-binding kinase 1”. X-ray diffraction, 1 ligand (1FV), 7 pockets (best druggability 0.67). MolNFT v1 #95299 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4IM0
- Type
- protein
- Length
- 619 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
- 1FV
- Pockets
- 7 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase TBK1 (EC 2.7.11.1) | protein | 619 | 52% helix, 14% strand | Q9UHD2 |
Ligands and binding sites
- 1FV · N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl) phenyl]amino}pyrimidin-4-yl) amino]propyl}cyclobutanecarboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 411 | 0.67 | 0.80 | 40 | empty |
| 2 | 369 | 0.67 | 0.80 | 43 | 1FV |
| 3 | 236 | 0.46 | 0.73 | 32 | empty |
| 4 | 77 | 0.35 | 0.76 | 18 | empty |
| 5 | 55 | 0.34 | 0.78 | 16 | 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 4IM0 · PDBe 4IM0 · UniProt Q9UHD2
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