8ZUC
The Crystal structure of mol080 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 3C-like proteinase | polymer | 301 | 33293.0 | 1 | UniProt (P0DTD1) Pfam (PF05409) | 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 (B) | 3C-like proteinase | polymer | 301 | 33192.8 | 1 | UniProt (P0DTD1) Pfam (PF05409) | 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 |
| 3 | C, D (A, B) | 6-[[6-chloranyl-2-(3-methylbutyl)indazol-5-yl]amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione | non-polymer | 587.0 | 2 | Chemie (A1D81) | |||
| 4 | E, F (A, B) | water | water | 18.0 | 505 | Chemie (HOH) |
Sequence modifications
B: 1 - 301 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Gly 279 | Arg 3542 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 66485.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1174.0 | |
| All* | Total formula weight | 67659.8 |
