MolNFT v1 · #179187 · protein
Structure of TTBK1 kinase domain in complex with compound 3
7JXX · Tau-tubulin kinase 1: “Structure of TTBK1 kinase domain in complex with compound 3”. X-ray diffraction, 2 ligands (VP7, NA), 1 pocket (best druggability 0.62). MolNFT v1 #179187 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7JXX
- Type
- protein
- Length
- 288 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tau-tubulin kinase 1
- EC
- 2.7.11.1
- UniProt
- Q5TCY1
- Ligands
- VP7, NA
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tau-tubulin kinase 1 (EC 2.7.11.1) | protein | 288 | 36% helix, 18% strand | Q5TCY1 |
Ligands and binding sites
- VP7 · 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3, 4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol · ligand · chains A
- NA · Sodium ion · metal · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 255 | 0.62 | 0.81 | 39 | VP7 |
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 Q5TCY1
- Elsewhere: RCSB PDB 7JXX · PDBe 7JXX · UniProt Q5TCY1
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