9U7D
Crystal structure of SARS-CoV-2 papain-like protease (Cys111Ser) in complex with YL1004
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 (A) | Papain-like protease nsp3 | polymer | 312 | 35312.0 | 1 | UniProt (P0DTD1) Pfam (PF08715) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2) | Non-structural protein 3,nsp3,PL2-PRO,Papain-like proteinase,PL-PRO |
| 2 | B (A) | (4~{a}~{S})-8-azanyl-3-methyl-~{N}-[1-[4-(oxan-4-ylamino)naphthalen-1-yl]cyclopropyl]-2,4,4~{a},5-tetrahydro-1~{H}-pyrazino[2,1-c][1,4]benzoxazine-9-carboxamide | non-polymer | 527.7 | 1 | Chemie (A1EOE) | |||
| 3 | C, D, E, F, G... (A) | ZINC ION | non-polymer | 65.4 | 8 | Chemie (ZN) | |||
| 4 | K, L, M, N, O... (A) | CHLORIDE ION | non-polymer | 35.5 | 6 | Chemie (CL) | |||
| 5 | Q (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 6 | R (A) | water | water | 18.0 | 165 | Chemie (HOH) |
Sequence modifications
A: 1 - 312 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Ser 111 | Cys 1674 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35312.0 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 1369.8 | |
| All* | Total formula weight | 36681.8 |
