6XBG
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | binding site for residue GOL B 501 |
| Chain | Residue |
| B | SER62 |
| B | ASN63 |
| B | HIS64 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 502 |
| Chain | Residue |
| B | GLU14 |
| B | GLY15 |
| B | MET17 |
| B | LYS97 |
| B | HOH694 |
| B | HOH705 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 503 |
| Chain | Residue |
| A | LYS5 |
| A | HOH420 |
| B | PHE3 |
| B | ARG4 |
| B | LYS5 |
| B | HOH650 |
| site_id | AC4 |
| Number of Residues | 1 |
| Details | binding site for residue NA B 504 |
| Chain | Residue |
| B | LEU271 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"For 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"32198291","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Nucleophile; for 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"32198291","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"39223933","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
