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 | Botulinum neurotoxin A light chain | polymer | 445 | 50905.4 | 1 | UniProt (P10845) Pfam (PF01742) UniProt (by SIFTS) (P0DPI1) In PDB | Clostridium botulinum | BoNT/A, Bontoxilysin-A, BOTOX |
2 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
3 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
4 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
5 | A | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
6 | A | CARBONATE ION | non-polymer | 60.0 | 1 | Chemie (CO3) | |||
7 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
8 | 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 |