5K05
Crystal Structure of COMT in complex with 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole
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 | 214 | 23990.5 | 2 | UniProt (P22734) Pfam (PF01596) In PDB | Rattus norvegicus (Norway Rat) | |
| 2 | A, B | 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole | non-polymer | 255.3 | 2 | Chemie (6P5) | |||
| 3 | A, B | SULFATE ION | non-polymer | 96.1 | 7 | Chemie (SO4) | |||
| 4 | water | water | 18.0 | 171 | Chemie (HOH) |
Sequence modifications
A, B: 3 - 216 (UniProt: P22734)
| PDB | External Database | Details |
|---|---|---|
| Ile 91 | Met 91 | conflict |
| Cys 95 | Tyr 95 | conflict |
| Glu 156 | Lys 156 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 47980.9 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1183.1 | |
| All* | Total formula weight | 49164.1 |
