9ART
Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor 5h
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, D) | 3C-like proteinase nsp5 | polymer | 305 | 33727.4 | 2 | 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 | C, D (A, D) | N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | non-polymer | 577.7 | 2 | Chemie (V7G) | |||
| 3 | E, F (A, D) | water | water | 18.0 | 291 | Chemie (HOH) |
Sequence modifications
A, D: 1 - 305 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Thr 191 | Ala 3454 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67454.9 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1155.4 | |
| All* | Total formula weight | 68610.3 |
