9VUV
Crystal structure of SADS-CoV main protease (Lys35Val/Cys224Ser) in complex with SY110
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (B, A) | ORF1ab polyprotein | polymer | 301 | 32367.6 | 2 | UniProt (A0A2P1G738) Pfam (PF05409) | Swine acute diarrhea syndrome coronavirus | |
| 2 | C, E (B, A) | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide | non-polymer | 538.6 | 2 | Chemie (LVX) | |||
| 3 | D, F, G (B, A) | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL | non-polymer | 326.4 | 3 | Chemie (P33) | |||
| 4 | H (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 5 | I, J (B, A) | water | water | 18.0 | 566 | Chemie (HOH) |
Sequence modifications
B, A: 1 - 301 (UniProt: A0A2P1G738)
| PDB | External Database | Details |
|---|---|---|
| Val 35 | Lys 2977 | engineered mutation |
| Ser 224 | Cys 3166 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 64735.2 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2250.6 | |
| All* | Total formula weight | 66985.8 |
