7TVS
The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with demethylated analog of masitinib
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | 3C-like proteinase nsp5 | polymer | 306 | 33866.6 | 1 | UniProt (P0DTC1) Pfam (PF05409) UniProt (by SIFTS) (P0DTD1) In PDB | Severe acute respiratory syndrome coronavirus | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | A | N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide | non-polymer | 484.6 | 1 | Chemie (XNJ) | |||
| 3 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 4 | water | water | 18.0 | 46 | Chemie (HOH) |
Sequence modifications
A: 1 - 306 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| His 132 | Pro 3395 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33866.6 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 640.9 | |
| All* | Total formula weight | 34507.5 |
