7NBY
Crystal structure of SU3327 (halicin) covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Main Protease | polymer | 306 | 33825.5 | 2 | UniProt (P0DTD1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) | pp1ab,ORF1ab polyprotein |
| 2 | C, D, E, H, J... (A, B) | 5-nitro-1,3-thiazole | non-polymer | 130.1 | 8 | Chemie (U88) | |||
| 3 | F, G, N (A, B) | NITRATE ION | non-polymer | 62.0 | 3 | Chemie (NO3) | |||
| 4 | I, Q (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 5 | M (B) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 6 | P (B) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 7 | R, S (A, B) | water | water | 18.0 | 363 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67651.1 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1417.0 | |
| All* | Total formula weight | 69068.1 |
