7HDR
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003640
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Non-structural protein 3 | polymer | 169 | 18178.8 | 2 | UniProt (P0DTD1) | Severe acute respiratory syndrome coronavirus 2 | nsp3, PL2-PRO, Papain-like protease, Papain-like proteinase, PL-PRO |
| 2 | C (A) | trifluoroacetic acid | non-polymer | 114.0 | 1 | Chemie (TFA) | |||
| 3 | D (A) | (2S)-3-(4-fluorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol | non-polymer | 286.3 | 1 | Chemie (A1A80) | |||
| 4 | E (A) | (2R)-3-(4-fluorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol | non-polymer | 286.3 | 1 | Chemie (A1A8Z) | |||
| 5 | F (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | G, H (A, B) | water | water | 18.0 | 414 | 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 | 4 |
| Total formula weight | 722.1 | |
| All* | Total formula weight | 37079.6 |
