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) | Burkholderia glumae (Pseudomonas glumae) | Acyl homoserine lactone synthase |
| 2 | B (A) | 5'-DEOXY-5'-METHYLTHIOADENOSINE | non-polymer | 297.3 | 1 | Chemie (MTA) PubChem (149) PubChem (25322898) PubChem (40467850) PubChem (44264468) PubChem (46874793) PubChem (51397471) PubChem (57104771) PubChem (58108938) PubChem (58682801) PubChem (439176) PubChem (59099797) PubChem (51397472) PubChem (688097) PubChem (99302) PubChem (453683) PubChem (91614589) PubChem (98100246) PubChem (6541356) PubChem (124300729) PubChem (124300795) PubChem (13101165) PubChem (13101166) PubChem (134694842) PubChem (138107656) PubChem (164077596) | |||
| 3 | C (A) | N-(3-oxocyclohex-1-en-1-yl)octanamide | non-polymer | 237.3 | 1 | Chemie (NOO) PubChem (53239922) | |||
| 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 |
