6FV2
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C | 3C-like proteinase | polymer | 306 | 33212.6 | 3 | UniProt (P0C6X5) Pfam (PF05409) In PDB | Human coronavirus NL63 (HCoV-NL63) | 3CL-PRO,3CLp,M-PRO,nsp5,p34 |
| 2 | A, B, C | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 3 | A, B, C | (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide | non-polymer | 568.7 | 3 | Chemie (D03) | |||
| 4 | water | water | 18.0 | 239 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 301 (UniProt: P0C6X5)
| PDB | External Database | Details |
|---|---|---|
| His 302 | - | expression tag |
| His 303 | - | expression tag |
| His 304 | - | expression tag |
| His 305 | - | expression tag |
| His 306 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 99637.7 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1982.3 | |
| All* | Total formula weight | 101620.0 |
