9JNE
Crystal Structure of SME-1 E166A mutant in complex with Doripenem
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 | 30345.3 | 2 | UniProt (Q54488) UniProt (by SIFTS) (P52682) | Serratia marcescens | SME E166A |
| 2 | C, F (A, B) | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid | non-polymer | 422.5 | 2 | Chemie (DRW) | |||
| 3 | D, E (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 4 | G (B) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 126 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 267 (UniProt: Q54488)
| PDB | External Database | Details |
|---|---|---|
| Met -1 | - | initiating methionine |
| Gly 0 | - | expression tag |
| Ala 143 | Glu 170 | engineered mutation |
| 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 | 60690.5 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1251.5 | |
| All* | Total formula weight | 61942.0 |
