3QJ0
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-3
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 type A | polymer | 430 | 49375.7 | 1 | UniProt (A5HZZ9) 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 (A) | (4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide | non-polymer | 431.3 | 1 | Chemie (QI3) | |||
| 4 | D, E, F (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 5 | G (A) | water | water | 18.0 | 63 | Chemie (HOH) |
Sequence modifications
A: 3 - 424 (UniProt: A5HZZ9)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | expression tag |
| Gly 2 | - | expression tag |
| His 425 | - | expression tag |
| His 426 | - | expression tag |
| His 427 | - | expression tag |
| His 428 | - | expression tag |
| His 429 | - | expression tag |
| His 430 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 49375.7 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 682.9 | |
| All* | Total formula weight | 50058.6 |
