4PYQ
Humanized rat apo-COMT in complex with a ureido-benzamidine
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 | 24694.3 | 2 | UniProt (P22734) Pfam (PF01596) In PDB | Rattus norvegicus (brown rat rat rats) | |
| 2 | A, B | 4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide | non-polymer | 283.3 | 2 | Chemie (2X1) | |||
| 3 | A, B | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 4 | A, B | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 5 | A, B | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 6 | B | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 7 | water | water | 18.0 | 207 | Chemie (HOH) |
Sequence modifications
A, B: 44 - 264 (UniProt: P22734)
| PDB | External Database | Details |
|---|---|---|
| Ile 134 | Met 134 | engineered mutation |
| Cys 138 | Tyr 138 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 49388.7 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1150.4 | |
| All* | Total formula weight | 50539.1 |
