7LKT
1.50 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2k
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | 3C-like proteinase | polymer | 309 | 34068.8 | 2 | UniProt (P0DTD1) Pfam (PF05409) In PDB | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) | 3CL-PRO, 3CLp, Main protease, Mpro, Non-structural protein 5, nsp5, SARS coronavirus main proteinase |
| 2 | A, B | (1S,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | non-polymer | 543.7 | 2 | Chemie (Y7M) | |||
| 3 | A, B | (1R,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | non-polymer | 543.7 | 2 | Chemie (Y4V) | |||
| 4 | B | CITRATE ANION | non-polymer | 189.1 | 1 | Chemie (FLC) | |||
| 5 | B | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 2 | Chemie (PG4) | |||
| 6 | water | water | 18.0 | 420 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 305 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Ser -3 | - | expression tag |
| Asn -2 | - | expression tag |
| Ile -1 | - | expression tag |
| Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 68137.6 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 2752.2 | |
| All* | Total formula weight | 70889.9 |
