MolNFT v1 · #27765 · protein
Crystal structure of neurotoxin BONT/A complexed with synaptosomal- associated protein 25
1XTG: “Crystal structure of neurotoxin BONT/A complexed with synaptosomal- associated protein 25”. X-ray diffraction, 2 ligands (ZN, CL), 8 pockets (best druggability 0.73). MolNFT v1 #27765 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1XTG
- Type
- protein
- Length
- 483 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neurotoxin BONT/A; Synaptosomal-associated protein 25
- UniProt
- P60880
- Ligands
- ZN, CL
- Pockets
- 8 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neurotoxin BONT/A | protein | 424 | 31% helix, 20% strand | — |
| B | Synaptosomal-associated protein 25 | protein | 59 | 34% helix, 7% strand | P60880 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 338 | 0.73 | 0.85 | 53 | ZN |
| 2 | 173 | 0.54 | 0.80 | 17 | empty |
| 3 | 170 | 0.50 | 0.77 | 26 | empty |
| 4 | 203 | 0.49 | 0.75 | 34 | empty |
| 5 | 121 | 0.48 | 0.79 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 3001 Ų buried · 50 hydrogen bonds · protein-protein
Compared structures
- 1XTG · Crystal structure of NEUROTOXIN BONT/A complexed with Synaptosomal-associated protein 25 · the same entry in another collection · chain B against B, TM-score 1.00
- P60880 · AlphaFold monomer V2.0 prediction for synaptosomal-associated protein 25 (P60880) · a predicted model of the same protein · chain B against A, TM-score 0.36
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 P60880
- Elsewhere: RCSB PDB 1XTG · PDBe 1XTG · UniProt P60880
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