5REG
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1545313172
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | binding site for residue DMS A 401 |
| Chain | Residue |
| A | GLN74 |
| A | LEU75 |
| A | ARG76 |
| A | PHE223 |
| A | THR224 |
| A | ASP263 |
| A | HOH524 |
| A | HOH688 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 402 |
| Chain | Residue |
| A | ASN65 |
| A | LEU67 |
| A | PHE223 |
| A | HOH544 |
| A | HIS64 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 403 |
| Chain | Residue |
| A | MET6 |
| A | PHE8 |
| A | SER123 |
| A | GLN127 |
| A | ARG298 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | binding site for residue LWA A 404 |
| Chain | Residue |
| A | ILE59 |
| A | LYS61 |
| A | SER62 |
| A | ARG105 |
| A | ILE106 |
| A | GLN107 |
| A | PRO108 |
| A | PHE134 |
| A | TYR182 |
| A | GLY183 |
| A | PRO184 |
| A | HOH502 |
| A | HOH627 |
| A | HOH812 |
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 |
