4EJ5
Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A wild-type
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Botulinum neurotoxin A light chain | polymer | 445 | 50905.4 | 1 | UniProt (P10845) Pfam (PF01742) UniProt (by SIFTS) (P0DPI1) | Clostridium botulinum | BoNT/A, Bontoxilysin-A, BOTOX |
| 2 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C, D, E (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 4 | F (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 5 | G (A) | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 6 | H (A) | CARBONATE ION | non-polymer | 60.0 | 1 | Chemie (CO3) | |||
| 7 | I (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | J (A) | water | water | 18.0 | 387 | Chemie (HOH) |
Sequence modifications
A: 1 - 425 (UniProt: P10845)
| PDB | External Database | Details |
|---|---|---|
| Met -19 | - | expression tag |
| Gly -18 | - | expression tag |
| Ser -17 | - | expression tag |
| Ser -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| Ser -9 | - | expression tag |
| Ser -8 | - | expression tag |
| Gly -7 | - | expression tag |
| Leu -6 | - | expression tag |
| Val -5 | - | expression tag |
| Pro -4 | - | expression tag |
| Arg -3 | - | expression tag |
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
| Ala 27 | Val 27 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 50905.4 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 568.9 | |
| All* | Total formula weight | 51474.2 |
