6FFS
Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 3C Protease | polymer | 182 | 20125.8 | 1 | UniProt (P04936) | Human rhinovirus 2 (HRV-2) | |
| 2 | B (A) | ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide | non-polymer | 531.6 | 1 | Chemie (D8E) | |||
| 3 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | D (A) | water | water | 18.0 | 222 | Chemie (HOH) |
Sequence modifications
A: 1 - 180 (UniProt: P04936)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 20125.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 627.6 | |
| All* | Total formula weight | 20753.4 |
