MolNFT v1 · #101053 · protein
Human tau tubulin kinase 1 (TTBK1) complexed with 3-({5-[(4-amino-4- methylpiperidin-1-YL)METHYL]PYRROLO[2,1-F][1,2,4]TRIAZIN-4-YL}AMINO)- 5-bromophenol
4NFN · Tau-tubulin kinase 1: “Human tau tubulin kinase 1 (TTBK1) complexed with 3-({5-[(4-amino-4…”. X-ray diffraction, 2 ligands (2KC, SO4), 1 pocket (best druggability 0.61). MolNFT v1 #101053 on GenesisL1: 3D structure, binding sites…
- PDB
- 4NFN
- Type
- protein
- Length
- 293 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
- 2KC, SO4
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tau-tubulin kinase 1 (EC 2.7.11.1) | protein | 293 | 35% helix, 18% strand | Q5TCY1 |
Ligands and binding sites
- 2KC · 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol · ligand · chains A
- SO4 · Sulfate ion · ion · 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 | 248 | 0.61 | 0.80 | 38 | 2KC |
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 4NFN · PDBe 4NFN · UniProt Q5TCY1
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