5C5O
Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (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 | 3C-like proteinase | polymer | 306 | 33832.6 | 2 | UniProt (P0C6X7) Pfam (PF05409) In PDB | Human SARS coronavirus (SARS-CoV) | 3CL-PRO, 3CLp |
| 2 | A, B | (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal | non-polymer | 437.6 | 2 | Chemie (SDJ) | |||
| 3 | water | water | 18.0 | 451 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 2 |
| Total formula weight | 67665.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 875.2 | |
| All* | Total formula weight | 68540.4 |
