5DG6
2.35A resolution structure of Norovirus 3CL protease in complex an oxadiazole-based, cell permeable macrocyclic (21-mer) 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) | 3C-LIKE PROTEASE | polymer | 188 | 20126.1 | 2 | UniProt (Q83883) | Norwalk virus (Hu/NV/NV/1968/US) | |
| 2 | C, D, F (A, B) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 3 | E (A) | tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate | non-polymer | 606.8 | 1 | BIRD (PRD_002187) Chemie (V66) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 55 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 181 (UniProt: Q83883)
| PDB | External Database | Details |
|---|---|---|
| Met -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| His -1 | - | expression tag |
| His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 40252.3 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 713.1 | |
| All* | Total formula weight | 40965.4 |
