8SDV
Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor S02030
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Beta-lactamase | polymer | 397 | 43394.2 | 1 | UniProt (Q4H482) Pfam (PF00144) UniProt (by SIFTS) (P24735) | Pseudomonas aeruginosa | |
| 2 | B, D (A) | IMIDAZOLE | non-polymer | 69.1 | 2 | Chemie (IMD) | |||
| 3 | C (A) | 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid | non-polymer | 324.1 | 1 | Chemie (ZXM) | |||
| 4 | E, F, G (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
| 5 | H (A) | water | water | 18.0 | 492 | Chemie (HOH) |
Sequence modifications
A: -25 - 371 (UniProt: Q4H482)
| PDB | External Database | Details |
|---|---|---|
| His 223 | Tyr 249 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 43394.2 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 696.7 | |
| All* | Total formula weight | 44090.9 |
