5K09
Crystal Structure of COMT in complex with a thiazole ligand
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, E... (A, B, C, D, E...) | Catechol O-methyltransferase | polymer | 217 | 24249.7 | 24 | UniProt (P22734) Pfam (PF01596) | Rattus norvegicus (Norway Rat) | |
| 2 | AD, BB, CA, CC, DD... (U, I, B, O, V...) | 5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole | non-polymer | 299.4 | 24 | Chemie (6PQ) | |||
| 3 | AA, AC, BA, BD, CB... (A, N, U, I, B...) | POTASSIUM ION | non-polymer | 39.1 | 58 | Chemie (K) | |||
| 4 | AB, BC, EB, GD, IA... (H, N, I, V, C...) | PHOSPHATE ION | non-polymer | 95.0 | 12 | Chemie (PO4) | |||
| 5 | AE, BE, CE, DE, EE... (M, N, O, P, Q...) | water | water | 18.0 | 535 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X: 2 - 217 (UniProt: P22734)
| PDB | External Database | Details |
|---|---|---|
| Ile 91 | Met 91 | engineered mutation |
| Cys 95 | Tyr 95 | engineered mutation |
| Glu 156 | Lys 156 | engineered mutation |
| Asp 218 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 24 |
| Total formula weight | 581992.7 | |
| Non-Polymers* | Number of molecules | 94 |
| Total formula weight | 10592.7 | |
| All* | Total formula weight | 592585.4 |
