7KOJ
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder494 inhibitor
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 | polymer | 318 | 35927.7 | 1 | UniProt (P0DTC1) Pfam (PF08715) UniProt (by SIFTS) (P0DTD1) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) | Non-structural protein 3,nsp3,PL2-PRO,Papain-like proteinase,PL-PRO |
| 2 | B (A) | 2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide | non-polymer | 387.5 | 1 | Chemie (Y94) | |||
| 3 | C, D, E, F (A) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 4 | G, H, I (A) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 5 | J (A) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
| 6 | K, L (A) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 7 | M, N, O, P, Q... (A) | UNKNOWN ATOM OR ION | non-polymer | 12 | Chemie (UNX) | ||||
| 8 | Y (A) | water | water | 18.0 | 177 | Chemie (HOH) |
Sequence modifications
A: 1 - 315 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Ser -2 | - | expression tag |
| Asn -1 | - | expression tag |
| Ala 0 | - | expression tag |
| Ser 111 | Cys 1674 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35927.7 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 1068.8 | |
| All* | Total formula weight | 36996.5 |
