3NF3
Crystal structure of BoNT/A LC with JTH-NB-7239 peptide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | BoNT/A | polymer | 425 | 48704.1 | 1 | UniProt (Q7B8V4) Pfam (PF01742) | Clostridium botulinum | Bont/A1, Botulinum neurotoxin type A, Neurotoxin A, Neurotoxin BoNT |
| 2 | B (C) | JTH-NB72-39 inhibitor | polymer | 8 | 951.2 | 1 | BIRD (PRD_000997) | ||
| 3 | C (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 4 | D (A) | NICKEL (II) ION | non-polymer | 58.7 | 1 | Chemie (NI) | |||
| 5 | E, F (A, C) | water | water | 18.0 | 86 | Chemie (HOH) |
Sequence modifications
A: 1 - 420 (UniProt: Q7B8V4)
| PDB | External Database | Details |
|---|---|---|
| Pro 421 | - | expression tag |
| Leu 422 | - | expression tag |
| Val 423 | - | expression tag |
| Pro 424 | - | expression tag |
| Arg 425 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 49655.3 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 124.1 | |
| All* | Total formula weight | 49779.4 |
