3WVE
Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, before photo-activation
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 | 23065.1 | 1 | UniProt (P13448) Pfam (PF02979) | Rhodococcus erythropolis | NHase, Nitrilase |
| 2 | B (B) | Nitrile hydratase subunit beta | polymer | 212 | 23486.3 | 1 | UniProt (P13449) Pfam (PF21006) Pfam (PF02211) | Rhodococcus erythropolis | NHase, Nitrilase |
| 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, J (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 6 | F, G, H, K (A, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 7 | I (B) | 2,2-dimethylpropanenitrile | non-polymer | 83.1 | 1 | Chemie (TAN) | |||
| 8 | L, M (A, B) | water | water | 18.0 | 317 | 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 | 9 |
| Total formula weight | 359.4 | |
| All* | Total formula weight | 46910.8 |
