6FV1
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-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 (A, B, C) | 3C-like proteinase | polymer | 306 | 33212.6 | 3 | UniProt (P0C6X5) Pfam (PF05409) | Human coronavirus NL63 (HCoV-NL63) | 3CL-PRO,3CLp,M-PRO,nsp5,p34 |
| 2 | D, I, M (A, B, C) | (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide | non-polymer | 534.6 | 3 | Chemie (E8E) | |||
| 3 | E, J, K, L, N (A, B, C) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 4 | F, G (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 5 | H (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 6 | O, P, Q (A, B, C) | water | water | 18.0 | 474 | 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 | 11 |
| Total formula weight | 2316.7 | |
| All* | Total formula weight | 101954.4 |
