4ZJX
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with a Novel Cyclic Peptide Inhibitor
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 | 432 | 49686.1 | 1 | UniProt (P10845) Pfam (PF01742) UniProt (by SIFTS) (P0DPI1) | Clostridium botulinum | BoNT/A,Bontoxilysin-A,BOTOX |
| 2 | B (B) | circular peptide inhibitor | polymer | 9 | 1009.3 | 1 | BIRD (PRD_002231) | synthetic construct | |
| 3 | C (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 4 | D, E, F (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 5 | G, H (A, B) | water | water | 18.0 | 183 | Chemie (HOH) |
Sequence modifications
A: 1 - 424 (UniProt: P10845)
| PDB | External Database | Details |
|---|---|---|
| Leu 425 | - | expression tag |
| Glu 426 | - | expression tag |
| His 427 | - | expression tag |
| His 428 | - | expression tag |
| His 429 | - | expression tag |
| His 430 | - | expression tag |
| His 431 | - | expression tag |
| His 432 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 50695.3 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 353.6 | |
| All* | Total formula weight | 51048.9 |
