6U4P
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, B, C, D, E... (A, B, C, D, E...) | Alpha-hemolysin | polymer | 293 | 33222.9 | 7 | UniProt (P09616) | Staphylococcus aureus | Alpha-HL,Alpha-toxin |
| 2 | CA, DA, H, HA, I... (D, A, E, F, B...) | fos-choline-14 | non-polymer | 380.5 | 14 | Chemie (PQJ) | |||
| 3 | AA, AB, BA, BB, EA... (C, G, D, A, E...) | SULFATE ION | non-polymer | 96.1 | 33 | Chemie (SO4) | |||
| 4 | CB, DB, EB, FB, GB... (A, B, C, D, E...) | water | water | 18.0 | 114 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G: 1 - 293 (UniProt: P09616)
| PDB | External Database | Details |
|---|---|---|
| Ala 35 | His 61 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 7 |
| Total formula weight | 232560.5 | |
| Non-Polymers* | Number of molecules | 47 |
| Total formula weight | 8497.4 | |
| All* | Total formula weight | 241057.9 |
