8WUR
Crystal structure of SARS-Cov-2 main protease D48N mutant in complex with shikonin
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 nsp5 | polymer | 296 | 32786.5 | 2 | UniProt (P0DTC1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | C (A) | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione | non-polymer | 288.3 | 1 | Chemie (FNO) PubChem (5208) PubChem (72521) PubChem (479503) | |||
| 3 | D, E (A, B) | water | water | 18.0 | 90 | Chemie (HOH) |
Sequence modifications
A, B: 3 - 298 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Asn 48 | Asp 3311 | engineered mutation |
| Ala 142 | Asn 3405 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 65573.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 288.3 | |
| All* | Total formula weight | 65861.2 |
