8WZP
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with CCF0058981
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 nsp5 | polymer | 302 | 33310.0 | 2 | UniProt (P0DTC1) Pfam (PF05409) UniProt (by SIFTS) (P0DTD1) In PDB | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2) | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | B | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide | non-polymer | 442.9 | 1 | Chemie (XIU) | |||
| 3 | water | water | 18.0 | 170 | Chemie (HOH) |
Sequence modifications
A, B: 3 - 304 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Ile 49 | Met 3312 | engineered mutation |
| Ala 222 | Arg 3485 | conflict |
| Arg 223 | Phe 3486 | conflict |
| Val 304 | Thr 3567 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 66620.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 442.9 | |
| All* | Total formula weight | 67062.9 |
