9VF2
Spirooxindole inhibitor CG-1059 complexed with SARS-Cov-2 3CL protease
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 (AAA) | 3C-like proteinase nsp5 | polymer | 316 | 34735.6 | 1 | UniProt (P0DTD1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | B (AAA) | (2~{S})-~{N}-[(2~{S})-1-[(2'~{S},3~{R})-2'-(iminomethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-~{N}-methyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanamide | non-polymer | 509.5 | 1 | Chemie (A1E0B) | |||
| 3 | C (AAA) | water | water | 18.0 | 87 | Chemie (HOH) |
Sequence modifications
AAA: 1 - 306 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Gly -9 | - | expression tag |
| Pro -8 | - | expression tag |
| Leu -7 | - | expression tag |
| Gly -6 | - | expression tag |
| Ser -5 | - | expression tag |
| Ser -4 | - | expression tag |
| Ala -3 | - | expression tag |
| Val -2 | - | expression tag |
| Leu -1 | - | expression tag |
| Gln 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34735.6 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 509.5 | |
| All* | Total formula weight | 35245.1 |
