3WNQ
Crystal structure of (R)-carbonyl reductase H49A mutant from Candida Parapsilosis in complex with 2-hydroxyacetophenone
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 (A, B, C, D) | (R)-specific carbonyl reductase | polymer | 341 | 36279.5 | 4 | UniProt (A1X808) Pfam (PF08240) Pfam (PF00107) | Candida parapsilosis (Yeast) | 1-phenyl-1, 2-ethanediol dehydrogenase |
| 2 | E, H, K, N (A, B, C, D) | 2-hydroxy-1-phenylethanone | non-polymer | 136.1 | 4 | Chemie (HXT) | |||
| 3 | F, G, I, J, L... (A, B, C, D) | ZINC ION | non-polymer | 65.4 | 8 | Chemie (ZN) | |||
| 4 | Q, R, S, T (A, B, C, D) | water | water | 18.0 | 228 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 336 (UniProt: A1X808)
| PDB | External Database | Details |
|---|---|---|
| Ala -4 | - | expression tag |
| Gly -3 | - | expression tag |
| Ala -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ala 0 | - | expression tag |
| Ala 49 | His 49 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 145117.9 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1067.9 | |
| All* | Total formula weight | 146185.8 |
