5P99
rat catechol O-methyltransferase in complex with N-[2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide at 1.20A
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Catechol O-methyltransferase | polymer | 221 | 24772.4 | 1 | UniProt (P22734) Pfam (PF01596) In PDB | Rattus norvegicus (Rat) | |
| 2 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 3 | A | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 4 | A | N-[2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide | non-polymer | 457.5 | 1 | Chemie (77M) | |||
| 5 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 6 | A | (4S,5S)-1,2-DITHIANE-4,5-DIOL | non-polymer | 152.2 | 1 | Chemie (D1D) | |||
| 7 | A | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID | non-polymer | 207.3 | 1 | Chemie (NHE) | |||
| 8 | water | water | 18.0 | 303 | 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 | 1008.3 | |
| All* | Total formula weight | 25780.7 |
