2QIQ
Structure-based Design and Synthesis and Biological Evaluation of Peptidomimetic SARS-3CLpro Inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Replicase polyprotein 1ab | polymer | 301 | 33328.1 | 1 | UniProt (P59641) Pfam (PF05409) UniProt (by SIFTS) (P0C6X7) In PDB | SARS coronavirus | |
| 2 | A | ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)-L-SERYL]AMINO}-6-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | non-polymer | 638.8 | 1 | Chemie (CYV) | |||
| 3 | water | water | 18.0 | 161 | Chemie (HOH) |
Sequence modifications
A: 2 - 301 (UniProt: P59641)
| PDB | External Database | Details |
|---|---|---|
| Ala 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33328.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 638.8 | |
| All* | Total formula weight | 33966.8 |
