3HVJ
Rat catechol O-methyltransferase in complex with a catechol-type, N6-propyladenine-containing bisubstrate inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Catechol O-methyltransferase | polymer | 221 | 24772.4 | 2 | UniProt (P22734) Pfam (PF01596) In PDB | Rattus norvegicus (Rat) | |
| 2 | A, B | N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-propylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide | non-polymer | 564.6 | 2 | Chemie (705) | |||
| 3 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 4 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | A | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 209.2 | 1 | Chemie (BTB) | |||
| 6 | water | water | 18.0 | 406 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 49544.8 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1422.4 | |
| All* | Total formula weight | 50967.2 |
