6U3T
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 (A, B) | Alpha-hemolysin | polymer | 293 | 33222.9 | 2 | UniProt (P09616) Pfam (PF07968) | Staphylococcus aureus | Alpha-HL,Alpha-toxin |
| 2 | C, D, G, H (A, B) | fos-choline-14 | non-polymer | 380.5 | 4 | Chemie (PQJ) | |||
| 3 | E, F, I, J, K... (A, B) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 4 | M, N (A, B) | water | water | 18.0 | 51 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 293 (UniProt: P09616)
| PDB | External Database | Details |
|---|---|---|
| Ala 35 | His 61 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 66445.9 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 2098.5 | |
| All* | Total formula weight | 68544.3 |
