5IMI
Crystal structure of S303A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-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 | 36205.4 | 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 | A, B, C, D | MAGNESIUM ION | non-polymer | 24.3 | 12 | Chemie (MG) | |||
4 | A, B, C, D | (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium | non-polymer | 208.4 | 4 | Chemie (JF1) | |||
5 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
6 | water | water | 18.0 | 602 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 8 - 314 (UniProt: Q9UR08)
PDB | External Database | Details |
---|---|---|
Met 1 | - | initiating methionine |
His 2 | - | expression tag |
His 3 | - | expression tag |
His 4 | - | expression tag |
His 5 | - | expression tag |
His 6 | - | expression tag |
His 7 | - | expression tag |
Ala 303 | Ser 309 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 144821.6 | |
Non-Polymers* | Number of molecules | 21 |
Total formula weight | 1921.0 | |
All* | Total formula weight | 146742.6 |