6WTT
Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0008233 | molecular_function | peptidase activity |
| A | 0019082 | biological_process | viral protein processing |
| B | 0008233 | molecular_function | peptidase activity |
| B | 0019082 | biological_process | viral protein processing |
| C | 0008233 | molecular_function | peptidase activity |
| C | 0019082 | biological_process | viral protein processing |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 15 |
| Details | binding site for residue K36 A 401 |
| Chain | Residue |
| A | HIS41 |
| A | GLU166 |
| A | GLN189 |
| A | THR190 |
| A | GLN192 |
| A | HOH513 |
| A | HOH599 |
| A | PHE140 |
| A | ASN142 |
| A | GLY143 |
| A | SER144 |
| A | CYS145 |
| A | HIS163 |
| A | HIS164 |
| A | MET165 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue PEG A 402 |
| Chain | Residue |
| A | LEU227 |
| A | THR243 |
| A | GLN244 |
| A | ASP245 |
| A | HOH519 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 403 |
| Chain | Residue |
| A | PHE223 |
| A | GLU270 |
| A | GLN273 |
| A | HOH509 |
| A | HOH609 |
| C | PRO168 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue CL A 405 |
| Chain | Residue |
| A | TYR126 |
| A | GLN127 |
| site_id | AC5 |
| Number of Residues | 1 |
| Details | binding site for residue CL A 406 |
| Chain | Residue |
| A | PHE103 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue MG A 407 |
| Chain | Residue |
| A | LEU58 |
| A | MET82 |
| B | ARG105 |
| site_id | AC7 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 402 |
| Chain | Residue |
| B | LEU67 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 403 |
| Chain | Residue |
| B | ASN221 |
| B | PHE223 |
| B | ASP263 |
| B | ALA266 |
| B | HOH524 |
| site_id | AC9 |
| Number of Residues | 16 |
| Details | binding site for Di-peptide K36 B 401 and CYS B 145 |
| Chain | Residue |
| B | LEU27 |
| B | ASN28 |
| B | HIS41 |
| B | PHE140 |
| B | ASN142 |
| B | GLY143 |
| B | SER144 |
| B | GLY146 |
| B | SER147 |
| B | HIS163 |
| B | HIS164 |
| B | MET165 |
| B | GLU166 |
| B | GLN189 |
| B | THR190 |
| B | GLN192 |
| site_id | AD1 |
| Number of Residues | 20 |
| Details | binding site for Di-peptide UCS C 401 and CYS C 145 |
| Chain | Residue |
| A | THR224 |
| C | LEU27 |
| C | ASN28 |
| C | HIS41 |
| C | MET49 |
| C | PHE140 |
| C | ASN142 |
| C | GLY143 |
| C | SER144 |
| C | GLY146 |
| C | SER147 |
| C | HIS163 |
| C | HIS164 |
| C | MET165 |
| C | GLU166 |
| C | HIS172 |
| C | ARG188 |
| C | GLN189 |
| C | THR190 |
| C | GLN192 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 3 |
| Details | Active site: {"description":"For 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"32198291","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | Active site: {"description":"Nucleophile; for 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"32198291","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 9 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"39223933","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
