8TWT
Crystal structure of nitrile synthase AetD with substrate bound and cofactor partially assembled
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | AetD | polymer | 260 | 30312.5 | 2 | UniProt (A0A861B387) | Aetokthonos hydrillicola | |
| 2 | C, G (A, B) | (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid | non-polymer | 362.0 | 2 | Chemie (67I) | |||
| 3 | D, H (A, B) | D-MALATE | non-polymer | 134.1 | 2 | Chemie (MLT) | |||
| 4 | E (A) | SUCCINIC ACID | non-polymer | 118.1 | 1 | Chemie (SIN) | |||
| 5 | F, J, K (A, B) | FE (III) ION | non-polymer | 55.8 | 3 | Chemie (FE) | |||
| 6 | I (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | L, M (A, B) | water | water | 18.0 | 178 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 239 (UniProt: A0A861B387)
| PDB | External Database | Details |
|---|---|---|
| Met -20 | - | expression tag |
| Gly -19 | - | expression tag |
| Ser -18 | - | expression tag |
| Ser -17 | - | expression tag |
| His -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| Ser -10 | - | expression tag |
| Ser -9 | - | expression tag |
| Gly -8 | - | expression tag |
| Leu -7 | - | expression tag |
| Val -6 | - | expression tag |
| Pro -5 | - | expression tag |
| Arg -4 | - | expression tag |
| Gly -3 | - | expression tag |
| Ser -2 | - | expression tag |
| His -1 | - | expression tag |
| Met 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 60624.9 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1369.9 | |
| All* | Total formula weight | 61994.8 |
