7CB7
1.7A resolution structure of SARS-CoV-2 main protease (Mpro) in complex with broad-spectrum coronavirus protease inhibitor GC376
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | binding site for residue NA A 401 |
| Chain | Residue |
| A | GLY-2 |
| A | GLY-1 |
| A | GLY0 |
| A | SER1 |
| A | HOH745 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | binding site for residue K36 A 402 |
| Chain | Residue |
| A | CYS145 |
| A | HIS163 |
| A | HIS164 |
| A | MET165 |
| A | GLU166 |
| A | HIS172 |
| A | GLN189 |
| A | B1S403 |
| A | HOH517 |
| A | HOH588 |
| A | PHE140 |
| A | ASN142 |
| A | GLY143 |
| A | SER144 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | binding site for residue B1S A 403 |
| Chain | Residue |
| A | HIS41 |
| A | PHE140 |
| A | ASN142 |
| A | CYS145 |
| A | HIS163 |
| A | HIS164 |
| A | MET165 |
| A | GLU166 |
| A | HIS172 |
| A | GLN189 |
| A | K36402 |
| A | HOH517 |
| A | HOH588 |
| site_id | AC4 |
| Number of Residues | 18 |
| Details | binding site for Di-peptide B1S B 401 and CYS B 165 |
| 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 | HIS172 |
| B | GLN189 |
| B | K36402 |
| B | HOH554 |
| B | HOH666 |
| site_id | AC5 |
| Number of Residues | 17 |
| Details | binding site for Di-peptide K36 B 402 and CYS B 165 |
| 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 | HIS172 |
| B | GLN189 |
| B | B1S401 |
| B | HOH554 |
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 |
