6U3Y
Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Panton-Valentine Leucocidin F | polymer | 301 | 34494.0 | 1 | UniProt (Q5FBD2) Pfam (PF07968) | Staphylococcus aureus | Panton-Valentine leukocidin chain F,Panton-Valentine leukocidin chain F protein,Panton-valentine Leukocidin F |
| 2 | B, C (B, D) | Gamma-hemolysin subunit A | polymer | 284 | 32374.7 | 2 | UniProt (B1Q017) Pfam (PF07968) | Staphylococcus aureus | LukS-PV,Panton-Valentine leucocidin S,Panton-valentine Leukocidin S |
| 3 | D, E, F (A) | fos-choline-14 | non-polymer | 380.5 | 3 | Chemie (PQJ) | |||
| 4 | AA, BA, CA, G, H... (D, A, B) | SULFATE ION | non-polymer | 96.1 | 16 | Chemie (SO4) | |||
| 5 | DA, M, N, O, T... (D, A, B) | ACETATE ION | non-polymer | 59.0 | 8 | Chemie (ACT) | |||
| 6 | EA, FA, GA (A, B, D) | water | water | 18.0 | 349 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 99243.4 | |
| Non-Polymers* | Number of molecules | 27 |
| Total formula weight | 3150.9 | |
| All* | Total formula weight | 102394.3 |
