6M2N
SARS-CoV-2 3CL protease (3CL pro) in complex with a novel inhibitor
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 |
| D | 0008233 | molecular_function | peptidase activity |
| D | 0019082 | biological_process | viral protein processing |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | binding site for residue 3WL A 401 |
| Chain | Residue |
| A | HIS41 |
| A | ASP187 |
| A | HOH532 |
| A | CYS44 |
| A | MET49 |
| A | LEU141 |
| A | ASN142 |
| A | GLY143 |
| A | CYS145 |
| A | MET165 |
| A | GLU166 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | binding site for residue 3WL B 401 |
| Chain | Residue |
| B | HIS41 |
| B | LEU141 |
| B | ASN142 |
| B | GLY143 |
| B | SER144 |
| B | CYS145 |
| B | MET165 |
| B | GLU166 |
| B | ASP187 |
| B | GLN189 |
| B | HOH545 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | binding site for residue 3WL C 401 |
| Chain | Residue |
| C | HIS41 |
| C | MET49 |
| C | LEU141 |
| C | ASN142 |
| C | GLY143 |
| C | SER144 |
| C | CYS145 |
| C | MET165 |
| C | GLU166 |
| C | HOH525 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue 3WL D 401 |
| Chain | Residue |
| D | HIS41 |
| D | LEU141 |
| D | ASN142 |
| D | GLY143 |
| D | CYS145 |
| D | MET165 |
| D | GLU166 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 915 |
| Details | Domain: {"description":"Peptidase C30","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| 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_FI3 |
| Number of Residues | 4 |
| 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_FI4 |
| Number of Residues | 12 |
| 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 |
