4KVD
Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolin-1-ium
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D | Aristolochene synthase | polymer | 314 | 36221.4 | 4 | UniProt (Q9UR08) Pfam (PF19086) In PDB | Aspergillus terreus | AS, Sesquiterpene cyclase |
2 | A, B, C, D | PYROPHOSPHATE 2- | non-polymer | 176.0 | 4 | Chemie (POP) | |||
3 | D, A, B, C | MAGNESIUM ION | non-polymer | 24.3 | 13 | Chemie (MG) | |||
4 | A, B, C | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
5 | D, A, B, C | (1R,4aS,7S,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium | non-polymer | 208.4 | 4 | Chemie (1SS) | |||
6 | water | water | 18.0 | 980 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 8 - 314 (UniProt: Q9UR08)
PDB | External Database | Details |
---|---|---|
Met 1 | - | expression tag |
His 2 | - | expression tag |
His 3 | - | expression tag |
His 4 | - | expression tag |
His 5 | - | expression tag |
His 6 | - | expression tag |
His 7 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 144885.6 | |
Non-Polymers* | Number of molecules | 25 |
Total formula weight | 2221.6 | |
All* | Total formula weight | 147107.2 |