3X25
Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, photo-activated for 700 min
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Nitrile hydratase subunit alpha | polymer | 207 | 23065.1 | 1 | UniProt (P13448) Pfam (PF02979) In PDB | Rhodococcus erythropolis | NHase, Nitrilase |
| 2 | B | Nitrile hydratase subunit beta | polymer | 212 | 23486.3 | 1 | UniProt (P13449) Pfam (PF21006) Pfam (PF02211) In PDB | Rhodococcus erythropolis | NHase, Nitrilase |
| 3 | A | FE (III) ION | non-polymer | 55.8 | 1 | Chemie (FE) | |||
| 4 | A | 2,2-dimethylpropanenitrile | non-polymer | 83.1 | 1 | Chemie (TAN) | |||
| 5 | B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 6 | B | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 7 | water | water | 18.0 | 271 | Chemie (HOH) |
Sequence modifications
B: 1 - 212 (UniProt: P13449)
| PDB | External Database | Details |
|---|---|---|
| Lys 56 | Arg 56 | ENGINEERED MUTATION |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 46551.4 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 234.2 | |
| All* | Total formula weight | 46785.5 |
