5K03
Crystal Structure of COMT in complex with 2,6-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyridine
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 | 214 | 23990.5 | 1 | UniProt (P22734) Pfam (PF01596) | Rattus norvegicus (Norway Rat) | |
| 2 | B (A) | 2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine | non-polymer | 212.3 | 1 | Chemie (6P4) | |||
| 3 | C (A) | POTASSIUM ION | non-polymer | 39.1 | 1 | Chemie (K) | |||
| 4 | D (A) | water | water | 18.0 | 185 | Chemie (HOH) |
Sequence modifications
A: 3 - 216 (UniProt: P22734)
| PDB | External Database | Details |
|---|---|---|
| Ile 91 | Met 91 | engineered mutation |
| Cys 95 | Tyr 95 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 23990.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 251.3 | |
| All* | Total formula weight | 24241.9 |
