MolNFT v1 · #4360 · protein
The hc fragement of tetanus toxin complexed with lactose
1DLL: “The hc fragement of tetanus toxin complexed with lactose”. X-ray diffraction, 2 ligands (BGC, GAL), 6 pockets (best druggability 0.57). MolNFT v1 #4360 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1DLL
- Type
- protein
- Length
- 441 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tetanus toxin
- EC
- 3.4.24.68
- UniProt
- P04958
- Ligands
- BGC, GAL
- Pockets
- 6 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tetanus toxin (EC 3.4.24.68) | protein | 441 | 8% helix, 45% strand | P04958 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · chains A
- GAL · beta-D-galactopyranose · sugar · chains A
- GOL · Glycerol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 111 | 0.57 | 0.84 | 25 | empty |
| 2 | 158 | 0.50 | 0.78 | 24 | empty |
| 3 | 163 | 0.45 | 0.76 | 28 | empty |
| 4 | 54 | 0.33 | 0.77 | 12 | empty |
| 5 | 82 | 0.32 | 0.74 | 18 | 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 P04958
- Elsewhere: RCSB PDB 1DLL · PDBe 1DLL · UniProt P04958
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