3P2H
Crystal structure of TofI in a ternary complex with an inhibitor and MTA
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | AHL synthase | polymer | 201 | 22219.3 | 1 | UniProt (Q4VSJ8) Pfam (PF00765) | Burkholderia glumae (Pseudomonas glumae) | Acyl homoserine lactone synthase |
| 2 | B (A) | 5'-DEOXY-5'-METHYLTHIOADENOSINE | non-polymer | 297.3 | 1 | Chemie (MTA) | |||
| 3 | C (A) | N-(3-oxocyclohex-1-en-1-yl)octanamide | non-polymer | 237.3 | 1 | Chemie (NOO) | |||
| 4 | D (A) | water | water | 18.0 | 95 | Chemie (HOH) |
Sequence modifications
A: 1 - 203 (UniProt: Q4VSJ8)
| PDB | External Database | Details |
|---|---|---|
| Met 42 | Phe 42 | engineered mutation |
| - | His 91 | deletion |
| - | Pro 92 | deletion |
| Met 149 | Ile 149 | engineered mutation |
| Met 152 | Leu 152 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 22219.3 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 534.7 | |
| All* | Total formula weight | 22753.9 |
