9H0F
SARS-CoV-2 Mpro in complex with a silicon-containing inhibitor
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, B (A, B) | 3C-like proteinase nsp5 | polymer | 305 | 33697.4 | 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) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 3 | D, Q (A, B) | methyl-N-[(2S)-1-[(5R)-5-[[(2S)-1-azanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | non-polymer | 465.6 | 2 | Chemie (A1IRW) | |||
| 4 | AA, E, F, G, H... (B, A) | SULFATE ION | non-polymer | 96.1 | 14 | Chemie (SO4) | |||
| 5 | BA, CA, I, J, K... (B, A) | CHLORIDE ION | non-polymer | 35.5 | 9 | Chemie (CL) | |||
| 6 | P (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 7 | DA, EA (A, B) | water | water | 18.0 | 202 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67394.8 | |
| Non-Polymers* | Number of molecules | 27 |
| Total formula weight | 2765.4 | |
| All* | Total formula weight | 70160.3 |
