8CAC
Crystal structure of SARS-CoV-2 Mpro-H172Y mutant in complex with 13b-K
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 | AAA, BBB | 3C-like proteinase nsp5 | polymer | 302 | 33375.0 | 2 | UniProt (P0DTC1) In PDB | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | AAA, BBB | ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | non-polymer | 595.7 | 2 | Chemie (O6K) | |||
| 3 | BBB | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 4 | water | water | 18.0 | 122 | Chemie (HOH) |
Sequence modifications
AAA, BBB: 1 - 302 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Tyr 172 | His 3435 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 66750.1 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1226.8 | |
| All* | Total formula weight | 67976.9 |
