9SHR
Alpha-Hemolysin of S.aureus (monomer) in complex with the small molecule N-(3-(Diethylamino)propyl)-1-(6-(p-tolyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxamide
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Alpha-hemolysin | polymer | 304 | 34633.6 | 1 | UniProt (Q2G1X0) Pfam (PF07968) | Staphylococcus aureus | Alpha-HL,Alpha-toxin |
| 2 | B (A) | ~{N}-[3-(diethylamino)propyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide | non-polymer | 454.6 | 1 | Chemie (A1JN0) | |||
| 3 | C (A) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 1 | Chemie (TRS) | |||
| 4 | D, E, F, G, H... (A) | SULFATE ION | non-polymer | 96.1 | 11 | Chemie (SO4) | |||
| 5 | O (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 6 | P (A) | water | water | 18.0 | 203 | Chemie (HOH) |
Sequence modifications
A: 1 - 293 (UniProt: Q2G1X0)
| PDB | External Database | Details |
|---|---|---|
| Met 0 | - | initiating methionine |
| Ser 294 | - | expression tag |
| Ala 295 | - | expression tag |
| Trp 296 | - | expression tag |
| Ser 297 | - | expression tag |
| His 298 | - | expression tag |
| Pro 299 | - | expression tag |
| Gln 300 | - | expression tag |
| Phe 301 | - | expression tag |
| Glu 302 | - | expression tag |
| Lys 303 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34633.6 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 1656.5 | |
| All* | Total formula weight | 36290.0 |
