6EKZ
Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with propranolol
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Aromatic peroxygenase | polymer | 328 | 35947.9 | 1 | UniProt (B9W4V6) Pfam (PF01328) | Agrocybe aegerita (Black poplar mushroom) | AaP, UPO, UNSPECIFIC PEROXYGENASE |
| 2 | B (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | C (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 4 | D (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | E, F, G, H, I (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 5 | Chemie (NAG) | |||
| 6 | J, U, V (A) | PHOSPHATE ION | non-polymer | 95.0 | 3 | Chemie (PO4) | |||
| 7 | K, L, M, R, S... (A) | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) | |||
| 8 | N, O, P, Q (A) | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL | non-polymer | 259.3 | 4 | Chemie (SNP) | |||
| 9 | W (A) | water | water | 18.0 | 417 | Chemie (HOH) |
Sequence modifications
A: 1 - 328 (UniProt: B9W4V6)
| PDB | External Database | Details |
|---|---|---|
| Ala 57 | Val 100 | engineered mutation |
| Phe 67 | Leu 110 | engineered mutation |
| Ile 75 | Val 118 | engineered mutation |
| Val 248 | Ile 291 | engineered mutation |
| Leu 311 | Phe 354 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35947.9 | |
| Non-Polymers* | Number of molecules | 21 |
| Total formula weight | 3657.1 | |
| All* | Total formula weight | 39605.1 |
