7AU1
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 12)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Peptidoglycan D,D-transpeptidase FtsI | polymer | 537 | 58027.0 | 1 | UniProt (G3XD46) Pfam (PF03717) Pfam (PF00905) | Pseudomonas aeruginosa | Penicillin-binding protein 3,PBP-3 |
| 2 | B, K (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 3 | C, D, J (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 3 | Chemie (PEG) | |||
| 4 | E (A) | 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid | non-polymer | 368.1 | 1 | Chemie (S08) | |||
| 5 | F, G, H, I, L (A) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 6 | M (A) | water | water | 18.0 | 400 | Chemie (HOH) |
Sequence modifications
A: 50 - 579 (UniProt: G3XD46)
| PDB | External Database | Details |
|---|---|---|
| Gly 43 | - | expression tag |
| Pro 44 | - | expression tag |
| Gly 45 | - | expression tag |
| Tyr 46 | - | expression tag |
| Gln 47 | - | expression tag |
| Asp 48 | - | expression tag |
| Pro 49 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 58027.0 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1303.2 | |
| All* | Total formula weight | 59330.3 |
