MolNFT v1 · #165602 · protein
TTBK2 kinase domain in complex with compound 1
6U0K · Tau-tubulin kinase 2: “TTBK2 kinase domain in complex with compound 1”. X-ray diffraction, 2 ligands (DTQ, PO4), 5 pockets (best druggability 0.81). MolNFT v1 #165602 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6U0K
- Type
- protein
- Length
- 582 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tau-tubulin kinase 2
- EC
- 2.7.11.1
- UniProt
- Q6IQ55
- Ligands
- DTQ, PO4
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Tau-tubulin kinase 2 (EC 2.7.11.1) | protein | 292 | 37% helix, 18% strand | Q6IQ55 |
| A | Tau-tubulin kinase 2 (EC 2.7.11.1) | protein | 290 | 36% helix, 18% strand | Q6IQ55 |
Ligands and binding sites
- DTQ · 4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline · ligand · 2 copies · chains B, A
- PO4 · Phosphate ion · ion · 8 copies · chains B, A
- GOL · Glycerol · additive · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1047 | 0.81 | 0.82 | 83 | DTQ |
| 2 | 78 | 0.36 | 0.76 | 19 | empty |
| 3 | 77 | 0.33 | 0.75 | 21 | empty |
| 4 | 88 | 0.33 | 0.74 | 20 | empty |
| 5 | 50 | 0.31 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- B–A · 790 Ų buried · 13 hydrogen bonds · protein-protein
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 Q6IQ55
- Elsewhere: RCSB PDB 6U0K · PDBe 6U0K · UniProt Q6IQ55
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