23MF
Crystal structure of SARS-CoV-2 main protease M165T mutant in complex with leritrelvir
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 | 306 | 33795.5 | 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, F (A, B) | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide | non-polymer | 639.7 | 2 | Chemie (A1EN0) PubChem (167713195) | |||
| 3 | D, E (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) PubChem (753) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 341 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Thr 165 | Met 3428 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67590.9 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1463.6 | |
| All* | Total formula weight | 69054.5 |
