3A8G
Crystal structure of Nitrile Hydratase mutant S113A complexed with Trimethylacetonitrile
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Nitrile hydratase subunit alpha | polymer | 207 | 23049.1 | 1 | UniProt (P13448) Pfam (PF02979) | Rhodococcus erythropolis | Nitrile hydratase alpha-subunit, Nitrilase, NHase |
| 2 | B (B) | Nitrile hydratase subunit beta | polymer | 212 | 23514.3 | 1 | UniProt (P13449) Pfam (PF21006) Pfam (PF02211) | Rhodococcus erythropolis | Nitrile hydratase beta-subunit, Nitrilase, NHase |
| 3 | C (A) | FE (III) ION | non-polymer | 55.8 | 1 | Chemie (FE) | |||
| 4 | D (A) | NITRIC OXIDE | non-polymer | 30.0 | 1 | Chemie (NO) | |||
| 5 | E, F, G (B) | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) | |||
| 6 | H (B) | 2,2-dimethylpropanenitrile | non-polymer | 83.1 | 1 | Chemie (TAN) | |||
| 7 | I, J (A, B) | water | water | 18.0 | 447 | Chemie (HOH) |
Sequence modifications
A: 0 - 206 (UniProt: P13448)
| PDB | External Database | Details |
|---|---|---|
| Ala 113 | Ser 114 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 46563.4 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 241.9 | |
| All* | Total formula weight | 46805.3 |
