9UJB
Crystal Structure of SME-1 E166A in complex with Ceftobiprole
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 SME-1 | polymer | 275 | 30345.3 | 2 | UniProt (P52682) | Serratia marcescens | |
| 2 | C, H (A, B) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 2 | Chemie (PG4) PubChem (8200) | |||
| 3 | D, E, I, J (A, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) PubChem (312) | |||
| 4 | F (A) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) PubChem (1061) | |||
| 5 | G (B) | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | non-polymer | 536.6 | 1 | Chemie (RB6) PubChem (137349935) | |||
| 6 | K, L (A, B) | water | water | 18.0 | 183 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 267 (UniProt: P52682)
| 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 | 8 |
| Total formula weight | 1161.8 | |
| All* | Total formula weight | 61852.4 |
