4KUF
Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165 causing stretch disorder
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 | 50964.4 | 1 | UniProt (A5HZZ9) Pfam (PF01742) UniProt (by SIFTS) (P0DPI1) In PDB | Clostridium botulinum A | Botulinum neurotoxin type A, BoNT/A, Bontoxilysin-A, BOTOX |
2 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
3 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 4 | Chemie (DMS) | |||
4 | A | (2S)-2-hydroxybutanedioic acid | non-polymer | 134.1 | 1 | Chemie (LMR) | |||
5 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
6 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 9 | Chemie (EDO) | |||
7 | A | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
8 | water | water | 18.0 | 332 | Chemie (HOH) |
Sequence modifications
A: 1 - 425 (UniProt: A5HZZ9)
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 |
Ser 134 | Cys 134 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 50964.4 | |
Non-Polymers* | Number of molecules | 18 |
Total formula weight | 1208.7 | |
All* | Total formula weight | 52173.2 |