3NW9
Rat COMT in complex with a methylpurin-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 (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, D, E, F (A) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 4 | G (A) | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID | non-polymer | 207.3 | 1 | Chemie (NHE) | |||
| 5 | H (A) | N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide | non-polymer | 521.5 | 1 | Chemie (637) | |||
| 6 | I (A) | water | water | 18.0 | 153 | 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 | 894.9 | |
| All* | Total formula weight | 25667.3 |
