7BF6
Crystal structure of SARS-CoV-2 macrodomain in complex with remdesivir metabolite GS-441524
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C | Papain-like protease nsp3 | polymer | 173 | 18676.4 | 3 | UniProt (P0DTD1) Pfam (PF01661) In PDB | Severe acute respiratory syndrome coronavirus 2 | Non-structural protein 3,nsp3,PL2-PRO,Papain-like proteinase,PL-PRO |
| 2 | A, B, C | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile | non-polymer | 291.3 | 3 | Chemie (U08) | |||
| 3 | A, C | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 4 | water | water | 18.0 | 148 | Chemie (HOH) |
Sequence modifications
A, B, C: 3 - 172 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| His 1 | - | expression tag |
| Met 2 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 56029.1 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1184.1 | |
| All* | Total formula weight | 57213.2 |
