5R8T
PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease screened against DSI poised (Enamine), Fraglites and Peplites (Newcastle university), Mini Frags (Astex), York 3D (York university), electrophile cysteine covalent (Weizman institute) fragment libraries
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0008233 | molecular_function | peptidase activity |
| A | 0019082 | biological_process | viral protein processing |
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 | HOH570 |
| A | HOH599 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 402 |
| Chain | Residue |
| A | PHE8 |
| A | SER123 |
| A | GLN127 |
| A | ARG298 |
| A | MET6 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 403 |
| Chain | Residue |
| A | GLY15 |
| A | MET17 |
| A | LYS97 |
| A | HOH669 |
Functional Information from SwissProt/UniProt
| Chain | Residue | Details |
| A | HIS41 | |
| Chain | Residue | Details |
| A | CYS145 | |
| Chain | Residue | Details |
| A | GLN306 | |
