4WHQ
Alkylperoxo reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 6.5
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, D (A, E, C) | Protocatechuate 3,4-dioxygenase alpha chain | polymer | 200 | 22278.8 | 3 | UniProt (P00436) Pfam (PF00775) | Pseudomonas putida | 3,4-PCD |
| 2 | C, E, F (F, D, B) | Protocatechuate 3,4-dioxygenase beta chain | polymer | 238 | 26696.3 | 3 | UniProt (P00437) Pfam (PF12391) Pfam (PF00775) | Pseudomonas putida | 3,4-PCD |
| 3 | G, I, W (A, C) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 4 | AA, BA, CA, H, HA... (D, A, B, E, F...) | 4-fluorobenzene-1,2-diol | non-polymer | 128.1 | 17 | Chemie (3N8) | |||
| 5 | GA, K, Y (B, F, D) | FE (III) ION | non-polymer | 55.8 | 3 | Chemie (FE) | |||
| 6 | DA, LA, NA, O, OA... (D, B, F, C) | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 8 | Chemie (BME) | |||
| 7 | Q, QA, S (F, B) | BICARBONATE ION | non-polymer | 61.0 | 3 | Chemie (BCT) | |||
| 8 | X (C) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 9 | EA (D) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 10 | FA (D) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 11 | RA (B) | (6S)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one | non-polymer | 160.1 | 1 | Chemie (3N9) | |||
| 12 | SA, TA, UA, VA, WA... (A, E, F, C, D...) | water | water | 18.0 | 891 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 146925.3 | |
| Non-Polymers* | Number of molecules | 38 |
| Total formula weight | 3631.0 | |
| All* | Total formula weight | 150556.3 |
