4TWW
Structure of SARS-3CL protease complex with a Bromobenzoyl (S,R)-N-decalin type 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 proteinase | polymer | 306 | 33832.6 | 2 | UniProt (P0C6X7) Pfam (PF05409) | Human SARS coronavirus (SARS-CoV) | 3CL protease, 3CL-PRO, 3CLp |
| 2 | C, D (A, B) | (2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal | non-polymer | 473.4 | 2 | Chemie (3A7) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 93 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: P0C6X7)
| PDB | External Database | Details |
|---|---|---|
| Ile 188 | Arg 3428 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67665.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 946.8 | |
| All* | Total formula weight | 68612.0 |
