9IL7
Crystal Structure of SME E166A in Complex with Ceftaroline Fosamil
This is a non-PDB format compatible entry.
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) Pfam (PF00144) Pfam (PF13354) UniProt (by SIFTS) (P52682) | Serratia marcescens | SME E166A |
| 2 | C, N (A, B) | (2~{R})-2-[(1~{R})-1-[[(2~{Z})-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]ethanoyl]amino]-2-oxidanylidene-ethyl]-5-[[4-(1-methylpyridin-4-yl)-1,3-thiazol-2-yl]sulfanyl]-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid | non-polymer | 687.7 | 2 | Chemie (A1L2O) | |||
| 3 | D, O, P, R, S... (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 6 | Chemie (PEG) | |||
| 4 | AA, BA, CA, DA, E... (B, A) | CHLORIDE ION | non-polymer | 35.5 | 16 | Chemie (CL) | |||
| 5 | FA, GA, HA, L, M (B, A) | PHOSPHATE ION | non-polymer | 95.0 | 5 | Chemie (PO4) | |||
| 6 | Q (B) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 7 | U (B) | IODIDE ION | non-polymer | 126.9 | 1 | Chemie (IOD) | |||
| 8 | EA (B) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 9 | IA, JA (A, B) | water | water | 18.0 | 142 | 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 | 32 |
| Total formula weight | 3398.4 | |
| All* | Total formula weight | 64088.9 |
