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 (A, B, C) | Papain-like protease nsp3 | polymer | 173 | 18676.4 | 3 | UniProt (P0DTD1) Pfam (PF01661) | Severe acute respiratory syndrome coronavirus 2 | Non-structural protein 3,nsp3,PL2-PRO,Papain-like proteinase,PL-PRO |
| 2 | D, H, I (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) PubChem (44468216) PubChem (58069410) PubChem (155903913) PubChem (76686024) PubChem (90378555) PubChem (139035242) PubChem (142467439) PubChem (149821062) PubChem (154953333) PubChem (155891770) PubChem (163464226) PubChem (165408667) PubChem (165408691) PubChem (166074951) PubChem (166766206) PubChem (167386659) PubChem (171760244) PubChem (172610237) PubChem (174038050) | |||
| 3 | E, F, G, J, K (A, C) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 4 | L, M, N (A, B, C) | 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 |
