3S68
Rat COMT in complex with SAM and Tolcapone at 1.85A, P3221, Rfree=22.0
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Catechol O-methyltransferase | polymer | 221 | 24772.4 | 1 | UniProt (P22734) Pfam (PF01596) | Rattus norvegicus (Rat) | |
| 2 | B (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 3 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | D, E, F (A) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 5 | G (A) | Tolcapone | non-polymer | 273.2 | 1 | Chemie (TCW) | |||
| 6 | H (A) | S-ADENOSYLMETHIONINE | non-polymer | 398.4 | 1 | Chemie (SAM) | |||
| 7 | I (A) | water | water | 18.0 | 200 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 24772.4 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 898.4 | |
| All* | Total formula weight | 25670.8 |
