3V0B
3.9 angstrom crystal structure of BoNT/Ai in complex with NTNHA
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 | 1296 | 149449.8 | 1 | UniProt (Q7B8V4) Pfam (PF01742) Pfam (PF07952) Pfam (PF07953) Pfam (PF07951) UniProt (by SIFTS) (P0DPI1) | Clostridium botulinum | Bont/A1, Botulinum neurotoxin type A, Neurotoxin A, Neurotoxin BoNT |
| 2 | B (B) | NTNH | polymer | 1196 | 138450.3 | 1 | UniProt (Q45914) Pfam (PF01742) Pfam (PF22133) Pfam (PF07953) Pfam (PF08470) | Clostridium botulinum | Type A progenitor toxin nontoxic-nonHA |
| 3 | C (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 4 | D (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) |
Sequence modifications
A: 1 - 1296 (UniProt: Q7B8V4)
B: 1 - 1193 (UniProt: Q45914)
| PDB | External Database | Details |
|---|---|---|
| Gln 224 | Glu 224 | engineered mutation |
| Ala 363 | Arg 363 | engineered mutation |
| Phe 366 | Tyr 366 | engineered mutation |
| Ala 1158 | Thr 1158 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Pro 1194 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 287900.1 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 105.5 | |
| All* | Total formula weight | 288005.6 |
