9IO6
Crystal Structure of SME-1 Carbapenemase in complex with Nacubactam.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | beta-lactamase | polymer | 275 | 30403.3 | 2 | UniProt (Q54488) Pfam (PF00144) Pfam (PF13354) UniProt (by SIFTS) (P52682) | Serratia marcescens | SME-1 |
| 2 | C, K (A, B) | (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide | non-polymer | 326.3 | 2 | Chemie (OP0) | |||
| 3 | D, F, G, H, L... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 6 | Chemie (EDO) | |||
| 4 | E (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 5 | I, J, O, P, Q... (A, B) | CHLORIDE ION | non-polymer | 35.5 | 7 | Chemie (CL) | |||
| 6 | N (B) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 7 | T, U (A, B) | water | water | 18.0 | 235 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 267 (UniProt: Q54488)
| 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 | 2 |
| Total formula weight | 60806.6 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 1573.6 | |
| All* | Total formula weight | 62380.2 |
