3CKE
Crystal structure of aristolochene synthase in complex with 12,13-difluorofarnesyl diphosphate
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 (A, B, C, D) | Aristolochene synthase | polymer | 320 | 36523.7 | 4 | UniProt (Q9UR08) Pfam (PF19086) | Aspergillus terreus | |
| 2 | E (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 3 | F, H, I (A, B, C) | (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate | non-polymer | 418.3 | 3 | Chemie (FDF) | |||
| 4 | G, M (B, D) | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 2 | Chemie (BME) | |||
| 5 | J (C) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | K, L (D) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 7 | N (D) | PYROPHOSPHATE 2- | non-polymer | 176.0 | 1 | Chemie (POP) | |||
| 8 | O, P, Q, R (A, B, C, D) | water | water | 18.0 | 243 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 146094.9 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1763.3 | |
| All* | Total formula weight | 147858.2 |
