5SOI
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000078036511 - (R) and (S) isomers
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Non-structural protein 3 | polymer | 169 | 18178.8 | 2 | UniProt (P0DTD1) Pfam (PF01661) In PDB | Severe acute respiratory syndrome coronavirus 2 | nsp3, PL2-PRO, Papain-like protease, Papain-like proteinase, PL-PRO |
| 2 | A | 3-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid | non-polymer | 274.3 | 1 | Chemie (WVG) | |||
| 3 | A | 3-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid | non-polymer | 274.3 | 1 | Chemie (WYY) | |||
| 4 | water | water | 18.0 | 484 | Chemie (HOH) |
Sequence modifications
A, B: 3 - 169 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Ser 1 | - | expression tag |
| Met 2 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 36357.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 548.6 | |
| All* | Total formula weight | 36906.2 |
