3MFL
Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C, E (A, B, C) | Protocatechuate 3,4-dioxygenase alpha chain | polymer | 200 | 22278.8 | 3 | UniProt (P00436) Pfam (PF00775) | Pseudomonas putida | 3,4-PCD |
| 2 | B, D, F (M, N, O) | Protocatechuate 3,4-dioxygenase beta chain | polymer | 238 | 26696.3 | 3 | UniProt (P00437) Pfam (PF12391) Pfam (PF00775) | Pseudomonas putida | 3,4-PCD |
| 3 | G, N, S, V (A, B, N, C) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 4 | H, I, O, T, W... (A, B, N, C, O) | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) | |||
| 5 | J, P, Q (A, B) | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 3 | Chemie (BME) | |||
| 6 | K, R, X (M, N, O) | FE (III) ION | non-polymer | 55.8 | 3 | Chemie (FE) | |||
| 7 | L (M) | CARBONATE ION | non-polymer | 60.0 | 1 | Chemie (CO3) | |||
| 8 | AA, M, U (O, M, N) | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | non-polymer | 168.1 | 3 | Chemie (DHY) | |||
| 9 | Z (O) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 10 | BA, CA, DA, EA, FA... (A, M, B, N, C...) | water | water | 18.0 | 1048 | Chemie (HOH) |
Sequence modifications
M, N, O: 301 - 538 (UniProt: P00437)
| PDB | External Database | Details |
|---|---|---|
| His 447 | Tyr 148 | engineered mutation |
| Tyr 462 | His 163 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 146925.3 | |
| Non-Polymers* | Number of molecules | 21 |
| Total formula weight | 1938.7 | |
| All* | Total formula weight | 148864.0 |
