5LQJ
Crystal Structure of COMT in complex with 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D | Catechol O-methyltransferase | polymer | 221 | 24694.3 | 4 | UniProt (P22734) Pfam (PF01596) In PDB | Rattus norvegicus (Norway Rat) | |
| 2 | A, B, C | SODIUM ION | non-polymer | 23.0 | 3 | Chemie (NA) | |||
| 3 | A, B, C, D | 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole | non-polymer | 199.3 | 5 | Chemie (72N) | |||
| 4 | B | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | D | POTASSIUM ION | non-polymer | 39.1 | 1 | Chemie (K) | |||
| 6 | water | water | 18.0 | 126 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 221 (UniProt: P22734)
| PDB | External Database | Details |
|---|---|---|
| Ile 91 | Met 91 | conflict |
| Cys 95 | Tyr 95 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 98777.3 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1139.8 | |
| All* | Total formula weight | 99917.1 |
