6XMK
1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 7j
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | binding site for residue QYS A 401 |
| Chain | Residue |
| A | PHE140 |
| A | HIS172 |
| A | GLN189 |
| A | ALA191 |
| A | HOH572 |
| A | ASN142 |
| A | GLY143 |
| A | SER144 |
| A | CYS145 |
| A | HIS163 |
| A | HIS164 |
| A | MET165 |
| A | GLU166 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | binding site for residue PG4 B 402 |
| Chain | Residue |
| B | GLU14 |
| B | GLY15 |
| B | MET17 |
| B | TRP31 |
| B | ALA70 |
| B | VAL73 |
| B | LEU75 |
| B | ASN95 |
| B | HOH569 |
| B | HOH577 |
| site_id | AC3 |
| Number of Residues | 19 |
| Details | binding site for Di-peptide QYS 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 | PRO168 |
| B | HIS172 |
| B | ARG188 |
| B | GLN189 |
| B | THR190 |
| B | ALA191 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| 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 | 2 |
| 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 | 6 |
| 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 |
