MolNFT v1 · #174523 · protein
Tetanus neurotoxin receptor binding domain
7BY4 · Tetanus toxin: “Tetanus neurotoxin receptor binding domain”. X-ray diffraction, 1 ligand (NA), 6 pockets (best druggability 0.53). MolNFT v1 #174523 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7BY4
- 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
- NA
- Pockets
- 6 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tetanus toxin (EC 3.4.24.68) | protein | 441 | 7% helix, 46% strand | P04958 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- GOL · Glycerol · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 170 | 0.53 | 0.79 | 23 | GOL |
| 2 | 83 | 0.38 | 0.77 | 14 | empty |
| 3 | 65 | 0.37 | 0.78 | 20 | empty |
| 4 | 58 | 0.36 | 0.79 | 13 | empty |
| 5 | 75 | 0.34 | 0.76 | 14 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
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 7BY4 · PDBe 7BY4 · UniProt P04958
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