3MI5
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, G, I... (A, B, C, D, E...) | Protocatechuate 3,4-dioxygenase alpha chain | polymer | 200 | 22278.8 | 6 | UniProt (P00436) Pfam (PF00775) | Pseudomonas putida | 3,4-PCD |
| 2 | B, D, F, H, J... (M, N, O, P, Q...) | Protocatechuate 3,4-dioxygenase beta chain | polymer | 238 | 26696.3 | 6 | UniProt (P00437) Pfam (PF12391) Pfam (PF00775) | Pseudomonas putida | 3,4-PCD |
| 3 | BC, CB, EC, FA, GD... (P, O, E, B, R...) | SULFATE ION | non-polymer | 96.1 | 12 | Chemie (SO4) | |||
| 4 | AC, AD, BA, DC, DD... (P, F, M, R, O...) | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 25 | Chemie (BME) | |||
| 5 | AA, AB, CD, DB, EB... (M, C, R, O, E...) | GLYCEROL | non-polymer | 92.1 | 42 | Chemie (GOL) | |||
| 6 | CC, DA, HD, IB, KA... (P, M, R, O, B...) | CATECHOL | non-polymer | 110.1 | 12 | Chemie (CAQ) | |||
| 7 | BB, BD, MA, MC, U... (O, R, N, Q, M...) | FE (III) ION | non-polymer | 55.8 | 6 | Chemie (FE) | |||
| 8 | CA, ID, KB, TA, TC (M, R, O, N, Q) | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
| 9 | KD, LD, MD, ND, OD... (A, M, B, N, C...) | water | water | 18.0 | 2300 | Chemie (HOH) |
Sequence modifications
M, N, O, P, Q, R: 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 | 12 |
| Total formula weight | 293850.6 | |
| Non-Polymers* | Number of molecules | 102 |
| Total formula weight | 8807.7 | |
| All* | Total formula weight | 302658.3 |
