7JFQ
The crystal structure of 3CL MainPro of SARS-CoV-2 with de-oxidized C145
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 401 |
| Chain | Residue |
| A | GLY215 |
| A | ASP216 |
| A | ARG217 |
| A | TRP218 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue FMT A 402 |
| Chain | Residue |
| A | HOH503 |
| A | HOH550 |
| A | MET17 |
| A | GLN69 |
| A | GLY71 |
| A | GLY120 |
| A | EDO403 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 403 |
| Chain | Residue |
| A | GLY15 |
| A | MET17 |
| A | ALA70 |
| A | GLY71 |
| A | FMT402 |
| A | HOH536 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue FMT A 404 |
| Chain | Residue |
| A | LYS102 |
| A | PHE103 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| 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 | 1 |
| 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 | 3 |
| 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 |
