7L14
CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 26
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 15 |
| Details | binding site for residue XFD A 400 |
| Chain | Residue |
| A | THR25 |
| A | HIS163 |
| A | MET165 |
| A | GLU166 |
| A | ASP187 |
| A | GLN189 |
| A | THR190 |
| A | THR26 |
| A | HIS41 |
| A | PHE140 |
| A | LEU141 |
| A | ASN142 |
| A | GLY143 |
| A | SER144 |
| A | CYS145 |
| site_id | AC2 |
| Number of Residues | 18 |
| Details | binding site for residue XFD B 400 |
| Chain | Residue |
| B | THR25 |
| B | HIS41 |
| B | MET49 |
| B | PHE140 |
| B | LEU141 |
| B | ASN142 |
| B | GLY143 |
| B | SER144 |
| B | CYS145 |
| B | HIS163 |
| B | MET165 |
| B | GLU166 |
| B | PRO168 |
| B | ASP187 |
| B | ARG188 |
| B | GLN189 |
| B | THR190 |
| B | GLN192 |
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 | CYS145 | |
| B | CYS145 |
| 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 |
