9V4A
Crystal Structure of Xeruborbactam (QPX7728) in complex with SME-1 class A carbapenemase
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 SME-1 | polymer | 275 | 30403.3 | 1 | UniProt (P52682) Pfam (PF00144) Pfam (PF13354) | Serratia marcescens | |
| 2 | B (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 3 | C (A) | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid | non-polymer | 222.0 | 1 | Chemie (RM9) | |||
| 4 | D, E (A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 5 | F (A) | water | water | 18.0 | 36 | Chemie (HOH) |
Sequence modifications
A: 1 - 267 (UniProt: P52682)
| PDB | External Database | Details |
|---|---|---|
| Met -1 | - | initiating methionine |
| Gly 0 | - | expression tag |
| His 268 | - | expression tag |
| His 269 | - | expression tag |
| His 270 | - | expression tag |
| His 271 | - | expression tag |
| His 272 | - | expression tag |
| His 273 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 30403.3 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 355.0 | |
| All* | Total formula weight | 30758.2 |
