7T48
Structure of SARS-CoV-2 3CL protease in complex with inhibitor 9c
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | 3C-like proteinase | polymer | 309 | 34068.8 | 1 | UniProt (P0DTD1) Pfam (PF05409) In PDB | Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2 2019-nCoV) | 3CL-PRO, 3CLp, Main protease, Mpro, Non-structural protein 5, nsp5, SARS coronavirus main proteinase |
| 2 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 3 | A | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid | non-polymer | 636.8 | 1 | Chemie (FHS) | |||
| 4 | A | (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | non-polymer | 636.8 | 1 | Chemie (FEY) | |||
| 5 | water | water | 18.0 | 150 | Chemie (HOH) |
Sequence modifications
A: 1 - 305 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Ser -3 | - | expression tag |
| Asn -2 | - | expression tag |
| Ile -1 | - | expression tag |
| Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34068.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1309.0 | |
| All* | Total formula weight | 35377.8 |
