8HQH
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with inhibitor YH-53
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 | 299 | 33130.8 | 2 | UniProt (P0DTC1) Pfam (PF05409) UniProt (by SIFTS) (P0DTD1) In PDB | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | A, B | N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | non-polymer | 575.7 | 2 | Chemie (HUR) | |||
| 3 | water | water | 18.0 | 124 | Chemie (HOH) |
Sequence modifications
A, B: 3 - 301 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Ile 49 | Met 3312 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 66261.6 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1151.4 | |
| All* | Total formula weight | 67412.9 |
