7K6E
SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 3C-like proteinase | polymer | 306 | 33825.5 | 1 | UniProt (P0DTD1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2 COVID-19 virus) | SARS-CoV-2 3CL protease,3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | B (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) PubChem (679) | |||
| 3 | C (A) | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide | non-polymer | 681.9 | 1 | BIRD (PRD_002448) Chemie (SV6) PubChem (23634854) PubChem (59235546) PubChem (59235541) PubChem (59356439) PubChem (68458137) PubChem (68573663) PubChem (70315220) PubChem (70702388) PubChem (70904955) PubChem (89431687) PubChem (89827385) PubChem (101878924) PubChem (117627200) PubChem (58991585) PubChem (59235545) PubChem (59235547) PubChem (59519874) PubChem (70905009) PubChem (74074001) PubChem (78358367) PubChem (78358368) PubChem (78358369) PubChem (117844340) PubChem (117844342) PubChem (117879778) PubChem (142694691) | |||
| 4 | D (A) | water | water | 18.0 | 54 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33825.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 760.0 | |
| All* | Total formula weight | 34585.5 |
