6XKF
The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine).
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 401 |
| Chain | Residue |
| A | PHE140 |
| A | CSX145 |
| A | HIS163 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | binding site for residue CL A 402 |
| Chain | Residue |
| A | LYS5 |
| B | EDO401 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 401 |
| Chain | Residue |
| A | CL402 |
| B | ARG4 |
| B | LYS5 |
| B | HOH515 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000305|PubMed:32198291 |
| Chain | Residue | Details |
| A | HIS41 | |
| B | HIS41 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: Nucleophile; for 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000269|PubMed:32198291 |
| Chain | Residue | Details |
| A | CSX145 | |
| B | CSX145 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | SITE: Cleavage; by 3CL-PRO => ECO:0000250|UniProtKB:P0C6V3 |
| Chain | Residue | Details |
| A | GLN306 | |
| B | GLN306 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 6 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:39223933 |
| Chain | Residue | Details |
| A | LYS5 | |
| A | LYS90 | |
| B | LYS5 | |
| B | LYS90 |
