9SVZ
The structure of S. aureus alpha-hemolysin in complex with a bicyclic peptide inhibitor
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 | 294 | 33354.1 | 2 | UniProt (P09616) | Staphylococcus aureus | Alpha-HL,Alpha-toxin |
| 2 | C, D (C, D) | Bicyclic peptide | polymer | 18 | 1991.3 | 2 | synthetic construct | ||
| 3 | E, M (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) PubChem (888) | |||
| 4 | F, G, K, N (A, B) | ACETATE ION | non-polymer | 59.0 | 4 | Chemie (ACT) PubChem (175) | |||
| 5 | H, I, J, L, O... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 7 | Chemie (EDO) | |||
| 6 | Q (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) PubChem (753) | |||
| 7 | S, U (C, D) | 1-[3,5-bis(2-chloranylethanoyl)-1,3,5-triazinan-1-yl]-2-chloranyl-ethanone | non-polymer | 316.6 | 2 | Chemie (R06) PubChem (20448874) | |||
| 8 | T, V (C, D) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) PubChem (312) | |||
| 9 | W, X, Y, Z (A, B, C, D) | water | water | 18.0 | 252 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 294 (UniProt: P09616)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | initiating methionine |
| Ala 36 | His 61 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 70690.9 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 1515.4 | |
| All* | Total formula weight | 72206.3 |
