8OKK
Crystal structure of F2F-2020184-00X 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) | 3C-like proteinase nsp5 | polymer | 306 | 33825.5 | 2 | UniProt (P0DTD1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | C, O (A, B) | tert-butyl-N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate | non-polymer | 468.6 | 2 | Chemie (83F) | |||
| 3 | D, P, Q, T (A, B) | ACETATE ION | non-polymer | 59.0 | 4 | Chemie (ACT) | |||
| 4 | E, F, H, K, V (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 5 | G, I, J, U, W (A, B) | FORMIC ACID | non-polymer | 46.0 | 5 | Chemie (FMT) | |||
| 6 | L, M, X (A, B) | SODIUM ION | non-polymer | 23.0 | 3 | Chemie (NA) | |||
| 7 | N, Y (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 8 | R (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 9 | S (B) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 1 | Chemie (MPD) | |||
| 10 | AA, Z (B, A) | water | water | 18.0 | 565 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67651.1 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 2050.0 | |
| All* | Total formula weight | 69701.1 |
