4DKI
Structural Insights into the Anti- Methicillin-Resistant Staphylococcus aureus (MRSA) Activity of 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) | Penicillin-binding protein 2' | polymer | 646 | 73777.3 | 2 | UniProt (Q5HJW3) Pfam (PF05223) Pfam (PF03717) Pfam (PF00905) UniProt (by SIFTS) (A0A0H2WXF8) | Staphylococcus aureus | |
| 2 | C, L (A, 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 | 2 | Chemie (RB6) | |||
| 3 | D, E, F, M (A, B) | BICARBONATE ION | non-polymer | 61.0 | 4 | Chemie (BCT) | |||
| 4 | G, H, I, N, O... (A, B) | CADMIUM ION | non-polymer | 112.4 | 7 | Chemie (CD) | |||
| 5 | J, K, R, S (A, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 6 | T, U (A, B) | water | water | 18.0 | 39 | Chemie (HOH) |
Sequence modifications
A, B: 24 - 668 (UniProt: Q5HJW3)
| PDB | External Database | Details |
|---|---|---|
| Met 23 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 147554.5 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 2245.9 | |
| All* | Total formula weight | 149800.4 |
