MolNFT v1 · #75309 · protein
Crystal structure of the receptor binding domain of botulinum neurotoxin C/D mosaic serotype
3PME · Type C neurotoxin: “Crystal structure of the receptor binding domain of botulinum neurotoxin C/D mosaic serotype”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.75). MolNFT v1 #75309 on GenesisL1: 3D structure…
- PDB
- 3PME
- Type
- protein
- Length
- 415 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type C neurotoxin
- UniProt
- Q5DW55
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 9% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Type C neurotoxin | protein | 415 | 9% helix, 44% strand | Q5DW55 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 117 | 0.75 | 0.94 | 23 | empty |
| 2 | 254 | 0.60 | 0.80 | 28 | empty |
| 3 | 70 | 0.33 | 0.75 | 16 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3PME · Crystal structure of the receptor binding domain of botulinum neurotoxin C/D mosaic… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q5DW55
- Elsewhere: RCSB PDB 3PME · PDBe 3PME · UniProt Q5DW55
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