6XB2
Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 2 |
| Details | binding site for residue NEN A 401 |
| Chain | Residue |
| A | LYS102 |
| A | CYS156 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue NEN A 402 |
| Chain | Residue |
| A | HIS41 |
| A | GLY143 |
| A | CYS145 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 403 |
| Chain | Residue |
| A | ARG298 |
| A | HOH535 |
| A | MET6 |
| A | ALA7 |
| A | SER123 |
| A | GLN127 |
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 |
