6FFN
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}-[(5~{S},8~{S},11~{S},15~{R})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide | non-polymer | 572.6 | 1 | Chemie (D8K) | |||
| 3 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | D (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | E (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | F (A) | water | water | 18.0 | 243 | 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 | 4 |
| Total formula weight | 838.9 | |
| All* | Total formula weight | 20964.7 |
