7KXB
Crystal structure of SARS-CoV-2 Nsp3 Macrodomain complex with PARG329
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Non-structural protein 3 | polymer | 169 | 18114.7 | 1 | UniProt (P0DTD1) Pfam (PF01661) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) | Nsp3,PL2-PRO,Papain-like protease,Papain-like proteinase,PL-PRO |
| 2 | B (A) | N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea | non-polymer | 441.6 | 1 | Chemie (XB1) | |||
| 3 | C (A) | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 1 | Chemie (BME) | |||
| 4 | D, E, F (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 5 | G (A) | water | water | 18.0 | 181 | Chemie (HOH) |
Sequence modifications
A: 3 - 169 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Gly 1 | - | expression tag |
| Pro 2 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 18114.7 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 807.9 | |
| All* | Total formula weight | 18922.6 |
