5RGU
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444622180 (Mpro-x2562)
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | binding site for residue UGD A 1001 |
| Chain | Residue |
| A | MET49 |
| A | ARG188 |
| A | GLN189 |
| A | THR190 |
| A | GLN192 |
| A | PHE140 |
| A | LEU141 |
| A | CYS145 |
| A | HIS163 |
| A | HIS164 |
| A | MET165 |
| A | GLU166 |
| A | PRO168 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 1002 |
| Chain | Residue |
| A | GLN74 |
| A | ARG76 |
| A | PHE223 |
| A | ASP263 |
| A | HOH1117 |
| A | HOH1130 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 1003 |
| Chain | Residue |
| A | MET6 |
| A | PHE8 |
| A | SER123 |
| A | GLN127 |
| A | ARG298 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue DMS A 1004 |
| Chain | Residue |
| A | GLY15 |
| A | MET17 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 1005 |
| Chain | Residue |
| A | ASP56 |
| A | ILE59 |
| A | ARG60 |
| A | PRO132 |
| A | THR196 |
| A | GLU240 |
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 |
