9DA0
Human norovirus GII.4 Houston R112A mutant protease in complex with rupintrivir
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Peptidase C37 | polymer | 181 | 19218.1 | 1 | UniProt (A0A7S9NT71) Pfam (PF05416) UniProt (by SIFTS) (S0F178) | Norovirus | |
| 2 | B (A) | 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | non-polymer | 600.7 | 1 | Chemie (AG7) | |||
| 3 | C (A) | water | water | 18.0 | 38 | Chemie (HOH) |
Sequence modifications
A: 1 - 181 (UniProt: A0A7S9NT71)
| PDB | External Database | Details |
|---|---|---|
| Ala 112 | Arg 1061 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 19218.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 600.7 | |
| All* | Total formula weight | 19818.8 |
