9D2K
SARS-CoV-2 Papain-like Protease (PLpro) complex with covalent inhibitor Jun13567
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) | Papain-like protease nsp3 | polymer | 318 | 35943.8 | 2 | UniProt (P0DTD1) Pfam (PF08715) | Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2 2019-nCoV COVID-19 virus) | Non-structural protein 3,nsp3,PL2-PRO,Papain-like proteinase,PL-PRO |
| 2 | C, O (A, B) | 2-(3-{2-[4-(3,3-dimethylazetidin-1-yl)-4-oxobutanoyl]hydrazin-1-yl}-3-oxopropyl)-N-{(1R)-1-[(3P,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}benzamide | non-polymer | 652.8 | 2 | Chemie (A1A6J) | |||
| 3 | D (A) | 2,3-DIHYDROXY-1,4-DITHIOBUTANE | non-polymer | 154.3 | 1 | Chemie (DTT) | |||
| 4 | E, F, G, H, I... (A, B) | ZINC ION | non-polymer | 65.4 | 10 | Chemie (ZN) | |||
| 5 | J, K, L, M, N... (A, B) | CHLORIDE ION | non-polymer | 35.5 | 9 | Chemie (CL) | |||
| 6 | Y, Z (A, B) | water | water | 18.0 | 92 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 315 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Ser -2 | - | expression tag |
| Asn -1 | - | expression tag |
| Ala 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 71887.5 | |
| Non-Polymers* | Number of molecules | 22 |
| Total formula weight | 2433.0 | |
| All* | Total formula weight | 74320.5 |
