7LKX
1.60 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3e
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 | (1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | non-polymer | 501.6 | 2 | Chemie (Y51) | |||
3 | A, B | (1S,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | non-polymer | 501.6 | 2 | Chemie (Y71) | |||
4 | B | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
5 | water | water | 18.0 | 329 | 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 | 5 |
Total formula weight | 2200.6 | |
All* | Total formula weight | 70338.2 |