4WY3
Structure of SARS-3CL protease complex with a phenylbenzoyl (R,S)-N-decalin type inhibitor
Replaces: 4TWXEntity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 3C-like proteinase | polymer | 306 | 33832.6 | 1 | UniProt (P0C6X7) Pfam (PF05409) | SARS coronavirus (SARS-CoV) | 3CL-pro, 3Clp, nsp5 |
| 2 | B (A) | (2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal | non-polymer | 470.6 | 1 | Chemie (3X5) | |||
| 3 | C (A) | water | water | 18.0 | 90 | Chemie (HOH) |
Sequence modifications
A: 1 - 306 (UniProt: P0C6X7)
| PDB | External Database | Details |
|---|---|---|
| Ile 188 | Arg 3428 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33832.6 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 470.6 | |
| All* | Total formula weight | 34303.2 |
