7TIA
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-14
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 nsp5 | polymer | 306 | 33825.5 | 1 | UniProt (P0DTC1) Pfam (PF05409) UniProt (by SIFTS) (P0DTD1) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2) | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | B (A) | benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | non-polymer | 403.5 | 1 | Chemie (XTP) | |||
| 3 | C (A) | THIOCYANATE ION | non-polymer | 58.1 | 1 | Chemie (SCN) | |||
| 4 | D (A) | water | water | 18.0 | 170 | 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 | 461.6 | |
| All* | Total formula weight | 34287.1 |
