5RGQ
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1849009686 (Mpro-x1086)
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 | GLN74 |
| A | ARG76 |
| A | ARG222 |
| A | THR224 |
| A | ASP263 |
| A | HOH531 |
| A | HOH579 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue DMS A 402 |
| Chain | Residue |
| A | LYS97 |
| A | GLY15 |
| A | MET17 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | binding site for residue U1V A 403 |
| Chain | Residue |
| A | ARG4 |
| A | LYS5 |
| A | MET6 |
| A | PHE8 |
| A | SER123 |
| A | GLN127 |
| A | PHE291 |
| A | ASP295 |
| A | GLN299 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000305|PubMed:32198291 |
| Chain | Residue | Details |
| A | HIS41 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | ACT_SITE: Nucleophile; for 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000269|PubMed:32198291 |
| Chain | Residue | Details |
| A | CYS145 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | SITE: Cleavage; by 3CL-PRO => ECO:0000250|UniProtKB:P0C6V3 |
| Chain | Residue | Details |
| A | GLN306 |
