5RG3
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025412
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | binding site for residue DMS A 401 |
| Chain | Residue |
| A | LEU75 |
| A | ARG76 |
| A | PHE223 |
| A | THR224 |
| A | ASP263 |
| A | HOH535 |
| A | HOH599 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 402 |
| Chain | Residue |
| A | SER123 |
| A | GLN127 |
| A | ARG298 |
| A | MET6 |
| A | PHE8 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 403 |
| Chain | Residue |
| A | GLY15 |
| A | MET17 |
| A | LYS97 |
| A | HOH661 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 404 |
| Chain | Residue |
| A | PHE140 |
| A | LEU141 |
| A | SER144 |
| A | HIS163 |
| A | GLU166 |
| site_id | AC5 |
| Number of Residues | 11 |
| Details | binding site for residue T9P A 405 |
| Chain | Residue |
| A | THR24 |
| A | THR25 |
| A | THR26 |
| A | LEU27 |
| A | ASN119 |
| A | GLY143 |
| A | SER144 |
| A | CYS145 |
| A | DMS406 |
| A | HOH538 |
| A | HOH545 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 406 |
| Chain | Residue |
| A | THR25 |
| A | HIS41 |
| A | CYS44 |
| A | SER46 |
| A | T9P405 |
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 |
