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) PubChem (888) | |||
| 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) PubChem (312) | |||
| 5 | G (A) | Tolcapone | non-polymer | 273.2 | 1 | Chemie (TCW) PubChem (4659569) | |||
| 6 | H (A) | S-ADENOSYLMETHIONINE | non-polymer | 398.4 | 1 | Chemie (SAM) PubChem (58766358) PubChem (58633578) PubChem (87224684) PubChem (60038769) PubChem (131697735) PubChem (73897310) PubChem (5136) PubChem (145712080) PubChem (34755) PubChem (132988922) PubChem (9865603) PubChem (134692588) PubChem (135030730) PubChem (140459785) PubChem (12312798) PubChem (163046094) | |||
| 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 |
