6XBI
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 501 |
| Chain | Residue |
| A | ASN228 |
| A | ASN231 |
| A | LEU232 |
| A | HOH603 |
| A | HOH672 |
| A | HOH706 |
| B | ARG105 |
| B | GLN107 |
| B | HOH641 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 502 |
| Chain | Residue |
| A | PHE103 |
| A | GLU178 |
| A | HOH644 |
| B | ASN228 |
| B | HOH679 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue NA A 503 |
| Chain | Residue |
| A | THR226 |
| A | LEU227 |
| A | HOH744 |
| B | ASN180 |
| B | HOH637 |
| B | HOH766 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue DMS B 501 |
| Chain | Residue |
| A | SER123 |
| B | MET6 |
| B | ALA7 |
| B | PHE8 |
| B | ARG298 |
| B | HOH655 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 305 |
| Details | Domain: {"description":"Peptidase C30","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| 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_FI3 |
| 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_FI4 |
| 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 |
