7AOL
Structure of SARS-CoV-2 Main Protease bound to Climbazole
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | 3C-like proteinase | polymer | 306 | 33824.6 | 1 | UniProt (P0DTD1) Pfam (PF05409) 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 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 5 | Chemie (DMS) | |||
| 3 | A | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 4 | A | (1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one | non-polymer | 292.8 | 1 | Chemie (RQH) | |||
| 5 | water | water | 18.0 | 392 | Chemie (HOH) |
Sequence modifications
A: 1 - 306 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Leu 72 | Asn 3335 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33824.6 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 752.5 | |
| All* | Total formula weight | 34577.1 |
