6XHN
Covalent complex of SARS-CoV main protease with 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
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 | 307 | 33933.7 | 2 | UniProt (P0C6U8) Pfam (PF05409) | Human SARS coronavirus (SARS-CoV) | |
| 2 | C, E (A, B) | (3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate | non-polymer | 601.6 | 2 | Chemie (V3D) | |||
| 3 | D (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 4 | F, G (A, B) | water | water | 18.0 | 342 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: P0C6U8)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67867.4 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1265.4 | |
| All* | Total formula weight | 69132.7 |
