6COE
AtHNL enantioselectivity mutant At-A9-H7 Apo Y13C,Y121L,P126F,L128W,C131T,F179L,A209I with benzaldehyde, MANDELIC ACID NITRILE
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Alpha-hydroxynitrile lyase | polymer | 260 | 29443.0 | 2 | UniProt (Q9LFT6) Pfam (PF00561) In PDB | Arabidopsis thaliana (Mouse-ear cress) | AtHNL,(R)-hydroxynitrile lyase,(R)-oxynitrilase,Methylesterase 5,AtMES5 |
| 2 | A, B | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 4 | A, B | benzaldehyde | non-polymer | 106.1 | 2 | Chemie (HBX) | |||
| 5 | A, B | (S)-MANDELIC ACID NITRILE | non-polymer | 133.1 | 2 | Chemie (MNN) | |||
| 6 | A, B | (2R)-hydroxy(phenyl)ethanenitrile | non-polymer | 133.1 | 2 | Chemie (MXN) | |||
| 7 | water | water | 18.0 | 336 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 258 (UniProt: Q9LFT6)
| PDB | External Database | Details |
|---|---|---|
| Cys 14 | Tyr 14 | engineered mutation |
| Leu 122 | Tyr 122 | engineered mutation |
| Phe 126 | Pro 126 | engineered mutation |
| Trp 129 | Leu 129 | engineered mutation |
| Thr 132 | Cys 132 | engineered mutation |
| Leu 179 | Phe 179 | engineered mutation |
| Ile 210 | Ala 210 | engineered mutation |
| Gly 259 | - | expression tag |
| Leu 260 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 58886.0 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1184.1 | |
| All* | Total formula weight | 60070.1 |
