9RG1
Unspecific peroxygenase from Psathyrella aberdarensis, Grogu variant, in complex with alpha-ionone
This is a non-PDB format compatible entry.
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) | Heme-thiolate peroxidase | polymer | 334 | 36575.5 | 2 | UniProt (A0A4Q2DF39) | Candolleomyces aberdarensis | |
| 2 | C, E (G, U) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 2 | In PDB GlyTouCan (G15407YE) | |||
| 3 | D, F (H, f) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 4 | AA, G, H (B, A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 5 | BA, I, O (B, A) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 3 | Chemie (MES) PubChem (4478249) | |||
| 6 | J, N (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) PubChem (8117) | |||
| 7 | CA, DA, K (B, A) | alpha-ionone | non-polymer | 192.3 | 3 | Chemie (A1IUB) PubChem (90389) PubChem (638013) PubChem (1268118) PubChem (1550719) PubChem (1550720) PubChem (5282108) PubChem (5498521) PubChem (24680) PubChem (6437004) | |||
| 8 | GA, L (B, A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 9 | HA, M (B, A) | ETHANOL | non-polymer | 46.1 | 2 | Chemie (EOH) | |||
| 10 | IA, JA, KA, LA, MA... (B, A) | ZINC ION | non-polymer | 65.4 | 14 | Chemie (ZN) | |||
| 11 | OA, X (B, A) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) PubChem (888) | |||
| 12 | PA, Y, Z (B, A) | PHOSPHATE ION | non-polymer | 95.0 | 3 | Chemie (PO4) PubChem (1061) | |||
| 13 | EA, FA (B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) PubChem (753) | |||
| 14 | QA, RA (A, B) | water | water | 18.0 | 772 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 334 (UniProt: A0A4Q2DF39)
| PDB | External Database | Details |
|---|---|---|
| Ala 61 | Ser 106 | engineered mutation |
| Ile 79 | Leu 124 | engineered mutation |
| Leu 252 | Ala 297 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 73151.0 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 2021.9 | |
| Non-Polymers* | Number of molecules | 36 |
| Total formula weight | 4797.0 | |
| All* | Total formula weight | 79969.9 |
